Geometry & MOs

Info

ID:	425788
PubChem CID:	135128007
Reduced:	ON5H31C33 (1)
Stoich.:	AB5C31D33 (1)
Weight, g/mol:	381.12013
ΔH_f, kcal/mol:	110.97
Dipole, Da:	4.16
IP(EA), eV:	-8.0(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrazin-2-yl-N-[3-(2,2,2-trifluoroethyl)phenyl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1C=C(C=C2)C3=CC(=CC=C3)OCC(=C)C4=CC=C(C=C4)N5CCCC5)C6=CN=CC=C6

DOS

IR

Vibrations