Geometry & MOs

Info

ID:	135023
PubChem CID:	51799748
Reduced:	NO2C14H19 (2)
Stoich.:	AB2C14D19 (2)
Weight, g/mol:	357.00995
ΔH_f, kcal/mol:	-133.83
Dipole, Da:	4.4
IP(EA), eV:	-8.89(0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1R,4S,5R)-2,3-diamino-4-(4-bromophenyl)-4-hydroxy-3-azoniabicyclo[3.1.0]hex-2-ene-1,6,6-tricarbonitrile

Drug info:

PubChemData

Smile

CCC/C=C/[C@@H](C(=O)NC1CCCCC1)N(CC2=CC=C(O2)C)C(=O)[C@H](C3=CC=CC=C3)OC

DOS

IR

Vibrations