Geometry & MOs

Info

ID:	323859
PubChem CID:	126676363
Reduced:	N3C6H8 (2)
Stoich.:	A3B6C8 (2)
Weight, g/mol:	456.213455
ΔH_f, kcal/mol:	67.22
Dipole, Da:	1.17
IP(EA), eV:	-8.35(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[4-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)methyl]pyrazol-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-imidazol-2-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)N(CC2=CC(=NC(=C2)N)N)N

DOS

IR

Vibrations