Geometry & MOs

Info

ID:	68991
PubChem CID:	46515006
Reduced:	N3O4C20H31 (1)
Stoich.:	A3B4C20D31 (1)
Weight, g/mol:	411.179421
ΔH_f, kcal/mol:	-195.48
Dipole, Da:	2.65
IP(EA), eV:	-9.65(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-(2-nitroanilino)propanoyl]-4-phenylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NCCCCCCC(=O)OC

DOS

IR

Vibrations