Geometry & MOs

Info

ID:	243234
PubChem CID:	99217460
Reduced:	N2O4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	452.242356
ΔH_f, kcal/mol:	-98.65
Dipole, Da:	7.71
IP(EA), eV:	-9.77(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6R)-1-[4-(benzylamino)-3-nitrobenzoyl]-N-butyl-6-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)CNC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4

DOS

IR

Vibrations