Geometry & MOs

Info

ID:	346965
PubChem CID:	127271469
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	381.206385
ΔH_f, kcal/mol:	-125.42
Dipole, Da:	2.05
IP(EA), eV:	-8.72(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea

Drug info:

PubChemData

Smile

CC(C)CN1CCOC(C1)CNC(=O)NCC(=O)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations