Geometry & MOs

Info

ID:	139534
PubChem CID:	52551058
Reduced:	OSN4C21H30 (1)
Stoich.:	ABC4D21E30 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	7.19
Dipole, Da:	7.13
IP(EA), eV:	-8.78(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,9bR)-2,8-dimethyl-N-pyridin-3-yl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NN=C(N2C[C@@H]3CCCO3)SCCC4=CC=CC=C4

DOS

IR

Vibrations