Geometry & MOs

Info

ID:	76140
PubChem CID:	48424497
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	349.144471
ΔH_f, kcal/mol:	-92.75
Dipole, Da:	3.87
IP(EA), eV:	-8.85(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2N3CCCC3

DOS

IR

Vibrations