Geometry & MOs

Info

ID:	237437
PubChem CID:	92719202
Reduced:	N2O4H24C25 (1)
Stoich.:	A2B4C24D25 (1)
Weight, g/mol:	457.21139
ΔH_f, kcal/mol:	-54.13
Dipole, Da:	2.81
IP(EA), eV:	-8.81(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7R)-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-7-phenyl-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@@H]2C3=C(NOC3=NC4=C2C(=O)C[C@H](C4)C5=CC=CC=C5O)C

DOS

IR

Vibrations