Geometry & MOs

Info

ID:	274577
PubChem CID:	103810281
Reduced:	BrN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	229.142641
ΔH_f, kcal/mol:	-60.89
Dipole, Da:	4.65
IP(EA), eV:	-8.55(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[3-(methylamino)-3-oxopropyl]morpholine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)[C@H]2CCCCN2)Br

DOS

IR

Vibrations