Geometry & MOs

Info

ID:	69083
PubChem CID:	46518075
Reduced:	N4O5C21H24 (1)
Stoich.:	A4B5C21D24 (1)
Weight, g/mol:	349.163771
ΔH_f, kcal/mol:	-63.21
Dipole, Da:	6.42
IP(EA), eV:	-8.73(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-(3-nitroanilino)-3-oxopropyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations