Geometry & MOs

Info

ID:	391271
PubChem CID:	135004041
Reduced:	N4O6C25H26 (1)
Stoich.:	A4B6C25D26 (1)
Weight, g/mol:	449.195071
ΔH_f, kcal/mol:	-102.55
Dipole, Da:	7.98
IP(EA), eV:	-8.74(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 10-(2-methoxyethyl)-4-(2-phenylethyl)-2H-pyrimido[1,2-a]benzimidazole-3,7-dicarboxylate

Drug info:

PubChemData

Smile

CCCCN1C2=C(C=C(C=C2)C(=O)OC)N3C1=NCC(=C3C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCC

DOS

IR

Vibrations