Geometry & MOs

Info

ID:	127596
PubChem CID:	51007906
Reduced:	N3H11C15 (2)
Stoich.:	A3B11C15 (2)
Weight, g/mol:	325.027249
ΔH_f, kcal/mol:	219.48
Dipole, Da:	9.12
IP(EA), eV:	-9.04(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,4R)-3-[(3,4-dichlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=C(C4=CC=CC=C4C5=C(C6=CC=CC=C63)N(N=N5)CC7=CC=CC=C7)N=N2

DOS

IR

Vibrations