Geometry & MOs

Info

ID:	128416
PubChem CID:	51043141
Reduced:	O3N4H18C19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	296.163711
ΔH_f, kcal/mol:	-23.26
Dipole, Da:	5.92
IP(EA), eV:	-8.97(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCC3=CC=CC=N3

DOS

IR

Vibrations