Geometry & MOs

Info

ID:	298812
PubChem CID:	117658718
Reduced:	FON4H19C22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	461.166331
ΔH_f, kcal/mol:	21.19
Dipole, Da:	1.57
IP(EA), eV:	-8.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]-N-methylazetidine-3-carboxamide

Drug info:

PubChemData

Smile

CCNC1=NC(=NC2=C1C=C(C=C2OC)C3=CC=C(C=C3)F)C4=CN=CC=C4

DOS

IR

Vibrations