Geometry & MOs

Info

ID:	197489
PubChem CID:	78970334
Reduced:	NF2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-113.95
Dipole, Da:	2.9
IP(EA), eV:	-9.73(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(4-methoxyphenyl)-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

CCN(CC#C)C(=O)C1=CC(=CC=C1)OC(F)F

DOS

IR

Vibrations