Geometry & MOs

Info

ID:	39737
PubChem CID:	8142097
Reduced:	O2N3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-14.43
Dipole, Da:	2.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754642
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)C

DOS

IR

Vibrations