Geometry & MOs

Info

ID:	74733
PubChem CID:	48422373
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-139.59
Dipole, Da:	2.28
IP(EA), eV:	-9.06(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-(3-ethynylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)OCC2CC2)C(=O)OC

DOS

IR

Vibrations