Geometry & MOs

Info

ID:

414880

PubChem CID:

135087852

Reduced:

ON6C20H30 (1)

Stoich.:

AB6C20D30 (1)

Weight, g/mol:

526.31552

ΔHf, kcal/mol:

-9.0

Dipole, Da:

6.13

IP(EA), eV:

 -8.35(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,17R,18S)-12-(1-acetylpiperidine-4-carbonyl)-5-methoxy-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-trien-14-one

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCCCC2)N3C[C@H]([C@@H](C3)O)CC4=NNC(=C4)C

DOS

IR

Vibrations