Geometry & MOs

Info

ID:	69662
PubChem CID:	47205110
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-10.0
Dipole, Da:	4.2
IP(EA), eV:	-9.94(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-N-(1H-pyrazol-5-ylmethyl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)NCC2=CC=NN2

DOS

IR

Vibrations