Geometry & MOs

Info

ID:	70881
PubChem CID:	48413993
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-1.73
Dipole, Da:	2.04
IP(EA), eV:	-9.34(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations