Geometry & MOs

Info

ID:	310712
PubChem CID:	126584510
Reduced:	IN2O2C6H11 (1)
Stoich.:	AB2C2D6E11 (1)
Weight, g/mol:	457.13889
ΔH_f, kcal/mol:	-87.01
Dipole, Da:	1.3
IP(EA), eV:	-9.8(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[2,6-di((113C)methyl)piperidin-1-yl]acetyl](15N)amino]-N-[2-[(2-iodoacetyl)amino]ethyl](313C)propanamide

Drug info:

PubChemData

Smile

[13CH3][13C](=O)NCCNC(=O)CI

DOS

IR

Vibrations