Geometry & MOs

Info

ID:	273600
PubChem CID:	103771448
Reduced:	NSO2C16H27 (1)
Stoich.:	ABC2D16E27 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-120.02
Dipole, Da:	3.47
IP(EA), eV:	-9.15(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCCC1=C(C=C(S1)C(=O)NCC(CC(C)C)O)CC

DOS

IR

Vibrations