Geometry & MOs

Info

ID:	216723
PubChem CID:	85086672
Reduced:	BrNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	298.116486
ΔH_f, kcal/mol:	-39.81
Dipole, Da:	2.35
IP(EA), eV:	-8.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl prop-2-enoate

Drug info:

PubChemData

Smile

CC1C2CC3=C(C1(CCN2)C)C(=C(C=C3)O)Br

DOS

IR

Vibrations