Geometry & MOs

Info

ID:	142503
PubChem CID:	53045320
Reduced:	FOSN4H23C24 (1)
Stoich.:	ABCD4E23F24 (1)
Weight, g/mol:	385.19026
ΔH_f, kcal/mol:	8.26
Dipole, Da:	2.99
IP(EA), eV:	-8.72(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(3,4-dimethylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CC2=C(N(N=C2C)C3=NC(=CS3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations