Geometry & MOs

Info

ID:	25008
PubChem CID:	616573
Reduced:	N3H13C15 (1)
Stoich.:	A3B13C15 (1)
Weight, g/mol:	235.110947
ΔH_f, kcal/mol:	82.03
Dipole, Da:	4.92
IP(EA), eV:	-8.79(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzylquinazolin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=NC=NC3=CC=CC=C32

DOS

IR

Vibrations