Geometry & MOs

Info

ID:	364164
PubChem CID:	127314460
Reduced:	BrO2N4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	313.236542
ΔH_f, kcal/mol:	-41.85
Dipole, Da:	3.48
IP(EA), eV:	-8.68(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[(3-methyloxetan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

DOS

IR

Vibrations