Geometry & MOs

Info

ID:	130176
PubChem CID:	51075149
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	305.152812
ΔH_f, kcal/mol:	18.93
Dipole, Da:	4.25
IP(EA), eV:	-8.64(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-phenyl-4-(pyrazol-1-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN(C)CC1=CN2C=CC=CC2=C1C#N

DOS

IR

Vibrations