Geometry & MOs

Info

ID:	275622
PubChem CID:	103816787
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-104.84
Dipole, Da:	3.29
IP(EA), eV:	-8.97(0.01)
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]-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(OC(=C1C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O)C)C

DOS

IR

Vibrations