Geometry & MOs

Info

ID:	69350
PubChem CID:	46530790
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-114.78
Dipole, Da:	8.21
IP(EA), eV:	-9.03(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dimethoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)N

DOS

IR

Vibrations