Geometry & MOs

Info

ID:	257312
PubChem CID:	103145117
Reduced:	BrSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	35.77
Dipole, Da:	7.82
IP(EA), eV:	-8.9(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,5-dimethyl-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NCC2=CSC(=C2)Br

DOS

IR

Vibrations