Geometry & MOs

Info

ID:	76012
PubChem CID:	48424298
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-142.73
Dipole, Da:	3.8
IP(EA), eV:	-9.44(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[(4-nitrophenyl)methyl]propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCCCOCCC2=CC=CC=C2

DOS

IR

Vibrations