Geometry & MOs

Info

ID:	178732
PubChem CID:	76372959
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	465.161246
ΔH_f, kcal/mol:	9.94
Dipole, Da:	10.17
IP(EA), eV:	-9.19(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(2,6-difluorophenyl)-N-[4-(7-hydroxy-8-methylidene-4-oxaspiro[2.5]octan-5-yl)pyridin-3-yl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

C=C1C=CC=NC1=C2C=CC(=O)C=C2C3CCCC(=O)C3

DOS

IR

Vibrations