Geometry & MOs

Info

ID:	153848
PubChem CID:	56313170
Reduced:	NF2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	381.16079
ΔH_f, kcal/mol:	-158.16
Dipole, Da:	4.2
IP(EA), eV:	-9.05(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-chloro-3-methyl-N-(3-phenylbutyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC=CC=C1OC(F)F)C2=CC=CC=C2

DOS

IR

Vibrations