Geometry & MOs

Info

ID:	280756
PubChem CID:	103851115
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-120.31
Dipole, Da:	5.02
IP(EA), eV:	-9.23(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC(CCO)COC

DOS

IR

Vibrations