Geometry & MOs

Info

ID:	243677
PubChem CID:	99233835
Reduced:	N4O4C23H30 (1)
Stoich.:	A4B4C23D30 (1)
Weight, g/mol:	390.215472
ΔH_f, kcal/mol:	-139.22
Dipole, Da:	5.48
IP(EA), eV:	-9.49(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations