Geometry & MOs

Info

ID:	353992
PubChem CID:	127285649
Reduced:	BrO2N3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-63.93
Dipole, Da:	4.03
IP(EA), eV:	-8.86(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[(4-methylmorpholin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)NC(C2CCC2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations