Geometry & MOs

Info

ID:	358975
PubChem CID:	127296866
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	361.19026
ΔH_f, kcal/mol:	18.45
Dipole, Da:	5.09
IP(EA), eV:	-9.15(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[2.2.1]heptanylmethyl)-1-isoquinolin-5-yl-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N4CCOC5C4CCC5

DOS

IR

Vibrations