Geometry & MOs

Info

ID:	75213
PubChem CID:	48423180
Reduced:	NSO4C22H27 (1)
Stoich.:	ABC4D22E27 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-99.56
Dipole, Da:	1.99
IP(EA), eV:	-8.3(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC2=CC(=C(C=C2C1C3=CC=CS3)OC)OC)OCC4CC4

DOS

IR

Vibrations