Geometry & MOs

Info

ID:	271771
PubChem CID:	103691262
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-102.33
Dipole, Da:	5.85
IP(EA), eV:	-10.15(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC2CCCC(C2)O

DOS

IR

Vibrations