Geometry & MOs

Info

ID:	167521
PubChem CID:	74841561
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	401.173942
ΔH_f, kcal/mol:	-97.51
Dipole, Da:	8.52
IP(EA), eV:	-9.06(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-N-[1-(4-oxo-4aH-quinazolin-2-yl)propyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CCC(C1NC2CCCCC2C(=O)N1)N(CC)C(=O)CC3=CC=CC=C3

DOS

IR

Vibrations