Geometry & MOs

Info

ID:	130631
PubChem CID:	51091818
Reduced:	ClFSN2O2H14C15 (1)
Stoich.:	ABCD2E2F14G15 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-95.53
Dipole, Da:	4.88
IP(EA), eV:	-9.18(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-1-[3-(dimethylamino)benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1)F)C(=O)NCCC2=CC=C(S2)Cl

DOS

IR

Vibrations