Geometry & MOs

Info

ID:	351449
PubChem CID:	127280337
Reduced:	O3N4C21H38 (1)
Stoich.:	A3B4C21D38 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-151.57
Dipole, Da:	1.81
IP(EA), eV:	-8.73(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(2-methylphenyl)oxane-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(C(C)C)C(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations