Geometry & MOs

Info

ID:	245252
PubChem CID:	99438047
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-18.33
Dipole, Da:	2.77
IP(EA), eV:	-8.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,3-dicyclopropylprop-2-enoyl)-N-(3-methylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C(=O)C3=CN=C(C=C3)NC4CC4

DOS

IR

Vibrations