Geometry & MOs

Info

ID:	334835
PubChem CID:	127253641
Reduced:	ClN5O5H20C23 (1)
Stoich.:	AB5C5D20E23 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-57.74
Dipole, Da:	5.48
IP(EA), eV:	-8.94(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=CC=C4C5=NNN=N5

DOS

IR

Vibrations