Geometry & MOs

Info

ID:	406330
PubChem CID:	135077254
Reduced:	OC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	218.059246
ΔH_f, kcal/mol:	-35.71
Dipole, Da:	1.92
IP(EA), eV:	-9.41(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9H-pyrido[3,4-b]indole-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC(/C(=C(\C)/C1=CC=CC=C1)/C)O

DOS

IR

Vibrations