Geometry & MOs

Info

ID:	121221
PubChem CID:	50758966
Reduced:	N2O3C13H17 (2)
Stoich.:	A2B3C13D17 (2)
Weight, g/mol:	411.194677
ΔH_f, kcal/mol:	-194.59
Dipole, Da:	7.64
IP(EA), eV:	-8.7(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C2(CN3C(=CC(=N3)C(=O)OC)C(=O)N2CC4=C(C(=CC=C4)OC)OC)C

DOS

IR

Vibrations