Geometry & MOs

Info

ID:	70201
PubChem CID:	47211662
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-100.34
Dipole, Da:	5.96
IP(EA), eV:	-8.97(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-acetamidophenyl)methyl]-2-(oxolan-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCC(C)N(C)C(=O)C1=CC(=C(C=C1)C)NC(=O)C

DOS

IR

Vibrations