Geometry & MOs

Info

ID:	273900
PubChem CID:	103805755
Reduced:	ON2C11H20 (1)
Stoich.:	AB2C11D20 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	-57.45
Dipole, Da:	3.35
IP(EA), eV:	-9.49(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC1C(=O)N[C@@H]2CCCC[C@H]2N

DOS

IR

Vibrations