Geometry & MOs

Info

ID:	72334
PubChem CID:	48416057
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	-69.54
Dipole, Da:	6.77
IP(EA), eV:	-8.68(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide

Drug info:

PubChemData

Smile

CC(C)N1CC(CC1=O)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations