Geometry & MOs

Info

ID:	431802
PubChem CID:	135171908
Reduced:	OC16H16 (1)
Stoich.:	AB16C16 (1)
Weight, g/mol:	463.268236
ΔH_f, kcal/mol:	48.05
Dipole, Da:	5.09
IP(EA), eV:	-8.51(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[4-(4-methoxy-4-oxobutan-2-yl)-N-(2-methylpropyl)-2-nitroanilino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=C/C=C(\C)/C#CC1=CC=C(C=C1)C=O)C

DOS

IR

Vibrations