Geometry & MOs

Info

ID:	173091
PubChem CID:	75595046
Reduced:	N3O3H13C16 (1)
Stoich.:	A3B3C13D16 (1)
Weight, g/mol:	330.216809
ΔH_f, kcal/mol:	14.5
Dipole, Da:	5.23
IP(EA), eV:	-9.17(-2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4,5-dimethyl-1H-benzimidazol-2-yl)methylamino]ethylamino]-6-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)N2C(=C3C=CC(=O)C=C3)N=NC2=O

DOS

IR

Vibrations