Geometry & MOs

Info

ID:	275601
PubChem CID:	103816746
Reduced:	NSO2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-59.87
Dipole, Da:	2.93
IP(EA), eV:	-9.3(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations