Geometry & MOs

Info

ID:	138664
PubChem CID:	52403339
Reduced:	N3O3C17H22 (1)
Stoich.:	A3B3C17D22 (1)
Weight, g/mol:	369.101082
ΔH_f, kcal/mol:	-36.45
Dipole, Da:	5.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.884277
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CC1=CC=C(O1)C(=O)NNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations