Geometry & MOs

Info

ID:	121133
PubChem CID:	50756771
Reduced:	O3N4C22H32 (1)
Stoich.:	A3B4C22D32 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-87.44
Dipole, Da:	3.12
IP(EA), eV:	-8.81(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2(CN3C4=C(C=C3C(=O)N2CCN(C)C)OC=C4)C

DOS

IR

Vibrations