Geometry & MOs

Info

ID:	360507
PubChem CID:	127301152
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	351.252192
ΔH_f, kcal/mol:	-131.38
Dipole, Da:	5.73
IP(EA), eV:	-8.47(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2NC(=O)CCN3CCN(CC3)C(=O)C4CCCO4

DOS

IR

Vibrations