Geometry & MOs

Info

ID:	309708
PubChem CID:	126555583
Reduced:	SN4C22H24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	380.171162
ΔH_f, kcal/mol:	99.48
Dipole, Da:	5.28
IP(EA), eV:	-8.32(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(cyclopropylamino)-5-[3-[4-(trifluoromethyl)cyclohexyl]prop-1-ynyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C=CC1=CC=C(C=C1)N2CCN(CC2)C(=S)N/C=C\3/CNC4=CC=CC=C34

DOS

IR

Vibrations