Geometry & MOs

Info

ID:	281051
PubChem CID:	103852606
Reduced:	ClO2N3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	339.171355
ΔH_f, kcal/mol:	-109.21
Dipole, Da:	4.91
IP(EA), eV:	-8.66(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[2-[(6-chloropyridin-3-yl)amino]cyclohexyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCCC(C1)NC2=CN=C(C=C2)Cl

DOS

IR

Vibrations