Geometry & MOs

Info

ID:	369389
PubChem CID:	127333011
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-174.28
Dipole, Da:	3.15
IP(EA), eV:	-8.51(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-hydroxycyclohexyl)oxyphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)OC4CCCCC4O

DOS

IR

Vibrations