Geometry & MOs

Info

ID:	62065
PubChem CID:	26717339
Reduced:	Cl2O2N3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	393.16079
ΔH_f, kcal/mol:	-69.93
Dipole, Da:	2.39
IP(EA), eV:	-8.7(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-N-methyl-N-[(1S)-1-phenylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations