Geometry & MOs

Info

ID:

442129

PubChem CID:

135249975

Reduced:

N6H50C51 (1)

Stoich.:

A6B50C51 (1)

Weight, g/mol:

413.210327

ΔHf, kcal/mol:

214.62

Dipole, Da:

1.14

IP(EA), eV:

 -8.46(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[4-(oxan-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC(C(N1C2=CN=CC(=C2)C3=CC4=C(C=C3)C5=C(C46C7=CC=CC=C7C8=CC=CC=C68)C=C(C=C5)C9=CC(=CN=C9)N1C(=NC(C1(C)C)(C)C)C)(C)C)(C)C

DOS

IR

Vibrations