Geometry & MOs

Info

ID:	406974
PubChem CID:	135079041
Reduced:	N2O2C12H13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	407.14936
ΔH_f, kcal/mol:	16.69
Dipole, Da:	3.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.894386
Charge, e:	0

Chem-info

IUPAC name:

2-[bromo-(3-methoxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-methyl-lambda4-sulfanyl]-N,N-diethylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/CO/C(=C/[N+]#N)/O

DOS

IR

Vibrations