Geometry & MOs

Info

ID:	195775
PubChem CID:	78732367
Reduced:	FO2N5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	423.207053
ΔH_f, kcal/mol:	-56.43
Dipole, Da:	6.97
IP(EA), eV:	-8.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carbamoylamino)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3)NC(=O)N

DOS

IR

Vibrations