Geometry & MOs

Info

ID:	19289
PubChem CID:	559944
Reduced:	F3N5C21H24 (1)
Stoich.:	A3B5C21D24 (1)
Weight, g/mol:	403.19838
ΔH_f, kcal/mol:	-93.63
Dipole, Da:	3.55
IP(EA), eV:	-8.64(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[2-(diethylamino)ethyl]-4-N-[4-(trifluoromethyl)phenyl]quinazoline-2,4-diamine

Drug info:

PubChemData

Smile

CCN(CC)CCNC1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations