Geometry & MOs

Info

ID:	152817
PubChem CID:	56311891
Reduced:	O2N4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-18.54
Dipole, Da:	3.02
IP(EA), eV:	-9.08(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)N(CCC#N)C3=CC=CC=C3

DOS

IR

Vibrations