Geometry & MOs

Info

ID:	142741
PubChem CID:	53084134
Reduced:	FO3N5C22H26 (1)
Stoich.:	AB3C5D22E26 (1)
Weight, g/mol:	491.199111
ΔH_f, kcal/mol:	-101.17
Dipole, Da:	5.9
IP(EA), eV:	-9.65(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-1-N-(2-thiophen-2-ylethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C2C(=O)N(C(CN2C=N1)(C)C(=O)NCC3=CC=C(C=C3)F)C4CC4

DOS

IR

Vibrations