Geometry & MOs

Info

ID:	329576
PubChem CID:	126738479
Reduced:	N3O3C24H35 (1)
Stoich.:	A3B3C24D35 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-153.6
Dipole, Da:	1.76
IP(EA), eV:	-8.38(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-oxopropyl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC1C2=C(CCN1C(=O)CCCNC(=O)OC(C)(C)C)C3=CC=CC=C3N2

DOS

IR

Vibrations