Geometry & MOs

Info

ID:	273594
PubChem CID:	103771435
Reduced:	ClNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-99.14
Dipole, Da:	1.34
IP(EA), eV:	-9.33(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxy-4-methylpentyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/C(=O)NCC(CC(C)C)O)Cl

DOS

IR

Vibrations