Geometry & MOs

Info

ID:	402902
PubChem CID:	135057764
Reduced:	OCl2N3H9C15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	64.72
Dipole, Da:	3.13
IP(EA), eV:	-9.53(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-cyclopentyl-6-nitroquinazolin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NNN=C2C(=O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations