Geometry & MOs

Info

ID:	329787
PubChem CID:	127246654
Reduced:	FO2N6C25H29 (1)
Stoich.:	AB2C6D25E29 (1)
Weight, g/mol:	470.204194
ΔH_f, kcal/mol:	-59.18
Dipole, Da:	6.21
IP(EA), eV:	-8.25(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-difluorophenyl)-2-[4-[4-[(5-fluoropyridin-2-yl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC)NC(=O)CN2CCC(CC2)C3=NC(=CC(=N3)NC4=NC=C(C=C4)F)C

DOS

IR

Vibrations