Geometry & MOs

Info

ID:	203786
PubChem CID:	79869780
Reduced:	NO5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	250.215747
ΔH_f, kcal/mol:	-189.51
Dipole, Da:	2.72
IP(EA), eV:	-9.65(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C)C(C)NC(=O)COC1=COC(=CC1=O)CO

DOS

IR

Vibrations