Geometry & MOs

Info

ID:	243696
PubChem CID:	99234074
Reduced:	NO2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	390.251858
ΔH_f, kcal/mol:	-204.64
Dipole, Da:	5.67
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-[4-(4-methylphenoxy)butanoyl]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