Geometry & MOs

Info

ID:	243697
PubChem CID:	99234075
Reduced:	NO2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	446.25292
ΔH_f, kcal/mol:	-204.5
Dipole, Da:	5.38
IP(EA), eV:	-8.38(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-(3-nitro-4-piperidin-1-ylbenzoyl)piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCCC(=O)N2CCC[C@H](C2)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations