Geometry & MOs

Info

ID:	425786
PubChem CID:	135128000
Reduced:	SN4H18C22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	362.129824
ΔH_f, kcal/mol:	127.57
Dipole, Da:	4.85
IP(EA), eV:	-8.73(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chlorophenyl)-N,N-dimethyl-2-pyridin-3-yl-1,2-dihydroquinazolin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1C=C(C=C2)C3=CC4=C(C=C3)SC=C4)C5CC=CN=C5

DOS

IR

Vibrations