Geometry & MOs

Info

ID:	174741
PubChem CID:	75807663
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	419.242021
ΔH_f, kcal/mol:	-64.11
Dipole, Da:	3.95
IP(EA), eV:	-9.25(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C2CC2)C(=O)C3CC(=O)N(C3)CC4=CC=CO4

DOS

IR

Vibrations