Geometry & MOs

Info

ID:	343600
PubChem CID:	127266776
Reduced:	ON6C16H16 (1)
Stoich.:	AB6C16D16 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	45.89
Dipole, Da:	3.5
IP(EA), eV:	-8.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-3,3-dimethyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=O)CCN3C=NC4=C(N=CN=C43)N

DOS

IR

Vibrations