Geometry & MOs

Info

ID:	185597
PubChem CID:	77319138
Reduced:	N5O8C36H65 (1)
Stoich.:	A5B8C36D65 (1)
Weight, g/mol:	241.146664
ΔH_f, kcal/mol:	-464.13
Dipole, Da:	8.28
IP(EA), eV:	-9.64(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)CC(C(CC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C)O)NC(=O)C(CC1CCCO1)NC(=O)C(CC=C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations