Geometry & MOs

Info

ID:	413993
PubChem CID:	135086946
Reduced:	BrN2O2C27H29 (1)
Stoich.:	AB2C2D27E29 (1)
Weight, g/mol:	329.152812
ΔH_f, kcal/mol:	9.65
Dipole, Da:	3.74
IP(EA), eV:	-8.39(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1,9-dimethylpyrido[3,4-b]indole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC(=C1)C#CCCCN2C3=CC=CC=C3C(=C2Br)C=NC(C)(C)C

DOS

IR

Vibrations