Geometry & MOs

Info

ID:

421751

PubChem CID:

135116538

Reduced:

ON2C10H14 (2)

Stoich.:

AB2C10D14 (2)

Weight, g/mol:

601.172811

ΔHf, kcal/mol:

-36.16

Dipole, Da:

6.0

IP(EA), eV:

 -8.91(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=CN=C2CN3CC[C@]4(CCCN[C@@H]4C3)CO

DOS

IR

Vibrations