Geometry & MOs

Info

ID:	43663
PubChem CID:	10321609
Reduced:	N2O2H10C13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	452.182396
ΔH_f, kcal/mol:	-24.29
Dipole, Da:	5.21
IP(EA), eV:	-8.62(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-N-(4-propan-2-ylphenyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=O)C2=C(N1)C=CC(=C2)N3C(=N/C(=C/C4=CC(=C(C=C4)O)OC)/C3=O)C5=CC=CC=C5

DOS

IR

Vibrations