Geometry & MOs

Info

ID:	327433
PubChem CID:	126689898
Reduced:	IF2O2N4H9C15 (1)
Stoich.:	AB2C2D4E9F15 (1)
Weight, g/mol:	529.225596
ΔH_f, kcal/mol:	-0.03
Dipole, Da:	4.04
IP(EA), eV:	-9.48(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-chloro-4-fluoroanilino)-7-[(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)methoxy]-1,2,3,4-tetrahydroquinazolin-6-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])F)CI)F

DOS

IR

Vibrations