Geometry & MOs

Info

ID:	280894
PubChem CID:	103851810
Reduced:	SN3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	13.76
Dipole, Da:	3.41
IP(EA), eV:	-8.22(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC1=NN(C=C1CNC2CCCCC2SC)C

DOS

IR

Vibrations