Geometry & MOs

Info

ID:	173848
PubChem CID:	75690407
Reduced:	OSN2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-14.75
Dipole, Da:	3.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.069856
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-6-propan-2-yloxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C[NH+]2CCCC2)SC

DOS

IR

Vibrations