Geometry & MOs

Info

ID:	72054
PubChem CID:	48415761
Reduced:	ON3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	389.185175
ΔH_f, kcal/mol:	12.54
Dipole, Da:	5.88
IP(EA), eV:	-8.71(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-(4-oxo-1H-quinazolin-2-yl)propanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=NN(C(C3)C(=O)N)C4=CC=CC=C4

DOS

IR

Vibrations