Geometry & MOs

Info

ID:	150093
PubChem CID:	53789779
Reduced:	NO2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	378.085909
ΔH_f, kcal/mol:	-30.8
Dipole, Da:	2.81
IP(EA), eV:	-9.03(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylquinazoline-2,4-diamine

Drug info:

PubChemData

Smile

CC(=O)OCC=CCN(CC1=CC=CC=C1)CC2=CC=CC=C2

DOS

IR

Vibrations