Geometry & MOs

Info

ID:	281050
PubChem CID:	103852605
Reduced:	ClO2N3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	325.155705
ΔH_f, kcal/mol:	-104.35
Dipole, Da:	7.37
IP(EA), eV:	-8.57(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCCC1NC2=CN=C(C=C2)Cl

DOS

IR

Vibrations