Geometry & MOs

Info

ID:	287907
PubChem CID:	104298356
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-58.86
Dipole, Da:	3.21
IP(EA), eV:	-9.3(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CCC(C(C)C)NC(=O)C1=CC(=C(C=C1)C#CCCO)C

DOS

IR

Vibrations