Geometry & MOs

Info

ID:	74006
PubChem CID:	48421340
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	357.162332
ΔH_f, kcal/mol:	-73.06
Dipole, Da:	4.84
IP(EA), eV:	-8.73(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC2C1N(CCC2)C(=O)NC3=CN(N=C3)CC(=O)N

DOS

IR

Vibrations