Geometry & MOs

Info

ID:	121179
PubChem CID:	50757982
Reduced:	ClO2N4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-32.67
Dipole, Da:	4.86
IP(EA), eV:	-9.33(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1(CN2C3=CC=CC=C3N=C2C(=O)N1CC4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations