Geometry & MOs

Info

ID:	181492
PubChem CID:	76750860
Reduced:	F2O2N7C21H21 (1)
Stoich.:	A2B2C7D21E21 (1)
Weight, g/mol:	345.15896
ΔH_f, kcal/mol:	-45.14
Dipole, Da:	1.41
IP(EA), eV:	-8.64(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)F)NC2=NC(=NC(=C2)C3=C4N=CC=CN4N=C3N)OCCOC

DOS

IR

Vibrations