Geometry & MOs

Info

ID:	441153
PubChem CID:	135233353
Reduced:	NO2C21H31 (1)
Stoich.:	AB2C21D31 (1)
Weight, g/mol:	428.260983
ΔH_f, kcal/mol:	-78.59
Dipole, Da:	5.28
IP(EA), eV:	-8.2(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)pyridin-2-yl]-2,2-dimethylcyclohexyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)C1=C(C=C(CC1=C)C(C)CC/C=C/NC(=C)CC)O

DOS

IR

Vibrations