Geometry & MOs

Info

ID:	238034
PubChem CID:	92728899
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-115.25
Dipole, Da:	7.73
IP(EA), eV:	-9.14(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-benzyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)N2CCC[C@H](C2)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations