Geometry & MOs

Info

ID:	325095
PubChem CID:	126680609
Reduced:	N3C28H31 (1)
Stoich.:	A3B28C31 (1)
Weight, g/mol:	444.093138
ΔH_f, kcal/mol:	72.71
Dipole, Da:	3.16
IP(EA), eV:	-9.0(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1-methyl-2-oxopyrimidin-5-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C)C)C2=NC(=NN2C3=C(C=C(C=C3)C4=CC=CC=C4)C(C)C)C

DOS

IR

Vibrations