Geometry & MOs

Info

ID:	121134
PubChem CID:	50756918
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-77.24
Dipole, Da:	2.47
IP(EA), eV:	-8.5(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-N-cyclopentyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3=CC4=C(N3CC2(C)C(=O)NC5CCCC5)C=C(C=C4)OC

DOS

IR

Vibrations