Geometry & MOs

Info

ID:	77478
PubChem CID:	49645767
Reduced:	O2N6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	396.139782
ΔH_f, kcal/mol:	5.02
Dipole, Da:	2.55
IP(EA), eV:	-9.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-N'-phenyl-N'-prop-2-enyloxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C(=O)NCCN3C=CN=C3C

DOS

IR

Vibrations