Geometry & MOs

Info

ID:	124902
PubChem CID:	50902004
Reduced:	N2O2H20C23 (1)
Stoich.:	A2B2C20D23 (1)
Weight, g/mol:	586.165089
ΔH_f, kcal/mol:	-11.03
Dipole, Da:	7.49
IP(EA), eV:	-8.44(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzoic acid;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)NC(=C2CC3=NC(=CC=C3)C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations