Geometry & MOs

Info

ID:	238037
PubChem CID:	92728905
Reduced:	N3O3C24H35 (1)
Stoich.:	A3B3C24D35 (1)
Weight, g/mol:	413.267842
ΔH_f, kcal/mol:	-157.3
Dipole, Da:	3.68
IP(EA), eV:	-8.92(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cycloheptyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=C(C=C1)C(=O)N2CCC[C@H](C2)C(=O)NC3CCCCCC3

DOS

IR

Vibrations