Geometry & MOs

Info

ID:	243668
PubChem CID:	99233786
Reduced:	N4O5C20H34 (1)
Stoich.:	A4B5C20D34 (1)
Weight, g/mol:	367.247107
ΔH_f, kcal/mol:	-270.3
Dipole, Da:	5.27
IP(EA), eV:	-9.38(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[2-(2-oxoazepan-1-yl)acetyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC(=O)N2CCC[C@@H](C2)CNC(=O)OC(C)(C)C)CC

DOS

IR

Vibrations