Geometry & MOs

Info

ID:	350324
PubChem CID:	127277402
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-79.95
Dipole, Da:	5.1
IP(EA), eV:	-10.0(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclohexyl-2-hydroxyethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)NCC(C3CCCCC3)O

DOS

IR

Vibrations