Geometry & MOs

Info

ID:	287966
PubChem CID:	104302597
Reduced:	BrClNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	303.033003
ΔH_f, kcal/mol:	-55.17
Dipole, Da:	2.82
IP(EA), eV:	-9.71(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(4-chloro-3-methylphenyl)quinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCCC(C)Br)Cl

DOS

IR

Vibrations