Geometry & MOs

Info

ID:	358972
PubChem CID:	127296863
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	10.88
Dipole, Da:	4.54
IP(EA), eV:	-8.91(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-5-yl-5-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCCC2)NC(=O)C3CC3C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations