Geometry & MOs

Info

ID:	59345
PubChem CID:	24820212
Reduced:	ON2C7H14 (1)
Stoich.:	AB2C7D14 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	-46.03
Dipole, Da:	4.11
IP(EA), eV:	-8.89(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]-1-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C1CNCCC1C(=O)CN

DOS

IR

Vibrations