Geometry & MOs

Info

ID:	312428
PubChem CID:	126604800
Reduced:	N3O3C15H22 (1)
Stoich.:	A3B3C15D22 (1)
Weight, g/mol:	392.08345
ΔH_f, kcal/mol:	-23.53
Dipole, Da:	7.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.850444
Charge, e:	0

Chem-info

IUPAC name:

7-(2-methylprop-2-enoyloxycarbonyloxy)heptyl 2-bromo-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1N(C)[O-])C)OCCN2CCNC2=O)C

DOS

IR

Vibrations