Geometry & MOs

Info

ID:	280755
PubChem CID:	103851110
Reduced:	NO3C15H29 (1)
Stoich.:	AB3C15D29 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-177.2
Dipole, Da:	4.55
IP(EA), eV:	-9.65(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC1(CCCC1)C(=O)NC(CCO)COC

DOS

IR

Vibrations