Geometry & MOs

Info

ID:	155738
PubChem CID:	56367278
Reduced:	ClO2N3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	392.18667
ΔH_f, kcal/mol:	-79.73
Dipole, Da:	2.91
IP(EA), eV:	-8.76(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(3-chlorophenyl)oxane-4-carbonyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)CN2C=CC3=C2C=C(C=C3)Cl

DOS

IR

Vibrations