Geometry & MOs

Info

ID:	427129
PubChem CID:	135155627
Reduced:	ClO2N5C31H34 (1)
Stoich.:	AB2C5D31E34 (1)
Weight, g/mol:	483.238273
ΔH_f, kcal/mol:	-0.59
Dipole, Da:	3.09
IP(EA), eV:	-8.99(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[4-(5,7-dihydropyrrolo[3,4-b]pyrazine-6-carbonyl)pyridin-2-yl]methyl]-5-(3-methylbutyl)-5-phenylimidazol-4-one

Drug info:

PubChemData

Smile

CC(C)CC1(C(=O)N(C(=N1)N)CC2=CC(=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl)C5=CC=CC=C5

DOS

IR

Vibrations