Geometry & MOs

Info

ID:	243707
PubChem CID:	99234174
Reduced:	N2O5C21H30 (1)
Stoich.:	A2B5C21D30 (1)
Weight, g/mol:	400.182064
ΔH_f, kcal/mol:	-221.68
Dipole, Da:	5.05
IP(EA), eV:	-9.32(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-(3-phenylthiophene-2-carbonyl)piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations