Geometry & MOs

Info

ID:	70970
PubChem CID:	48414123
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	351.134969
ΔH_f, kcal/mol:	2.56
Dipole, Da:	6.04
IP(EA), eV:	-8.88(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations