Geometry & MOs

Info

ID:	70937
PubChem CID:	48414068
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-37.44
Dipole, Da:	5.93
IP(EA), eV:	-9.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(C)C)C(=CO2)CC(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations