Geometry & MOs

Info

ID:	180565
PubChem CID:	76654219
Reduced:	FO2N7C30H32 (1)
Stoich.:	AB2C7D30E32 (1)
Weight, g/mol:	465.188878
ΔH_f, kcal/mol:	14.19
Dipole, Da:	1.96
IP(EA), eV:	-8.34(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-N,7-N,4-trimethyl-2-N-[[5-[3-(trifluoromethyl)anilino]pyridin-2-yl]methylideneamino]quinazoline-2,7-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C=NNC2=NC=C(C(=N2)N3CCOC(C3)C(C)C)F)NC4=CC=C(C=C4)C5=CC(=CC=C5)O

DOS

IR

Vibrations