Geometry & MOs

Info

ID:	177995
PubChem CID:	76261424
Reduced:	ClN4O4H21C25 (1)
Stoich.:	AB4C4D21E25 (1)
Weight, g/mol:	464.125133
ΔH_f, kcal/mol:	21.74
Dipole, Da:	8.25
IP(EA), eV:	-9.32(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(7-chloro-4-oxo-4aH-quinazolin-2-yl)methyl-propylcarbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1=NC(=O)C2C=CC(=CC2=N1)Cl)C(=O)C3=CC=C(O3)COC4=CC=CC=C4C#N

DOS

IR

Vibrations