Geometry & MOs

Info

ID:	82757
PubChem CID:	49856467
Reduced:	N2O3C14H22 (1)
Stoich.:	A2B3C14D22 (1)
Weight, g/mol:	455.314792
ΔH_f, kcal/mol:	-130.57
Dipole, Da:	2.28
IP(EA), eV:	-9.06(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(C)NC(=O)[C@H](CO)N

DOS

IR

Vibrations