Geometry & MOs

Info

ID:	195655
PubChem CID:	78716461
Reduced:	ClNO4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	411.194677
ΔH_f, kcal/mol:	-137.83
Dipole, Da:	2.7
IP(EA), eV:	-9.09(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzylpyrazol-4-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC=CC=C1)NC(=O)COC(=O)COC2=CC=CC=C2Cl

DOS

IR

Vibrations