Geometry & MOs

Info

ID:	121178
PubChem CID:	50757981
Reduced:	O2N3C27H37 (1)
Stoich.:	A2B3C27D37 (1)
Weight, g/mol:	438.182254
ΔH_f, kcal/mol:	-83.69
Dipole, Da:	4.58
IP(EA), eV:	-9.01(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C2(CN3C(=CC=C3C(=O)N2CCC(C)C)C4=CC=CC=C4)C

DOS

IR

Vibrations