Geometry & MOs

Info

ID:	166262
PubChem CID:	74658705
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	437.187005
ΔH_f, kcal/mol:	-3.68
Dipole, Da:	5.02
IP(EA), eV:	-9.02(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOCC1=CC=CC=C1CNC(=O)C=CC2=C(N(N=C2C)C3=CC=CC=C3)C

DOS

IR

Vibrations