Geometry & MOs

Info

ID:	173417
PubChem CID:	75637046
Reduced:	N4C21H25 (1)
Stoich.:	A4B21C25 (1)
Weight, g/mol:	305.103851
ΔH_f, kcal/mol:	144.19
Dipole, Da:	26.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.928133
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[NH+](CC)C1=CC=C(C=C1)C2N=C3C=CC=CC3=C4N2NC(=C4)C

DOS

IR

Vibrations