Geometry & MOs

Info

ID:	435653
PubChem CID:	135192075
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	233.09644
ΔH_f, kcal/mol:	-25.24
Dipole, Da:	2.42
IP(EA), eV:	-8.17(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC/C(=C(/C=C(/CC1=CC=CC=C1)\NC)\C(=O)N)/C

DOS

IR

Vibrations