Geometry & MOs

Info

ID:	173418
PubChem CID:	75637047
Reduced:	O2N4H13C17 (1)
Stoich.:	A2B4C13D17 (1)
Weight, g/mol:	335.114415
ΔH_f, kcal/mol:	40.46
Dipole, Da:	5.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.130970
Charge, e:	-1

Chem-info

IUPAC name:

4-[(4-methoxyphenyl)carbamoyl]-3,4-dihydropyrimido[1,2-a]benzimidazol-2-olate

Drug info:

PubChemData

Smile

C1C(N2C3=CC=CC=C3N=C2N=C1[O-])C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations