Geometry & MOs

Info

ID:	322224
PubChem CID:	126669261
Reduced:	N2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	452.07275
ΔH_f, kcal/mol:	43.72
Dipole, Da:	2.75
IP(EA), eV:	-8.52(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-(4-chlorophenyl)-3-[2-iodoethyl(methyl)amino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CN(N=C2)CC

DOS

IR

Vibrations