Geometry & MOs

Info

ID:	369388
PubChem CID:	127333010
Reduced:	N2O5C21H28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-201.33
Dipole, Da:	2.25
IP(EA), eV:	-8.95(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCC(CC1)(CNC(=O)C2CCCN2C(=O)C3=CC4=C(C=C3)OCO4)O

DOS

IR

Vibrations