Geometry & MOs

Info

ID:	69617
PubChem CID:	47205033
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	6.61
Dipole, Da:	6.96
IP(EA), eV:	-9.69(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-4-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=NN1)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations