Geometry & MOs

Info

ID:	69640
PubChem CID:	47205067
Reduced:	ON3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	215.105862
ΔH_f, kcal/mol:	38.53
Dipole, Da:	5.64
IP(EA), eV:	-9.34(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)NCC3=CC=NN3

DOS

IR

Vibrations