Geometry & MOs

Info

ID:	70674
PubChem CID:	48413703
Reduced:	N3O5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-159.91
Dipole, Da:	5.23
IP(EA), eV:	-8.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)CCCNC(=O)C3=CC=CO3

DOS

IR

Vibrations