Geometry & MOs

Info

ID:	319038
PubChem CID:	126654284
Reduced:	ClO2N5C29H30 (1)
Stoich.:	AB2C5D29E30 (1)
Weight, g/mol:	423.22704
ΔH_f, kcal/mol:	36.62
Dipole, Da:	8.54
IP(EA), eV:	-8.91(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-7-[(5-acetyl-3-methoxypyridin-2-yl)amino]-1-cyclopentyl-2-ethyl-4-methyl-2H-pyrido[3,4-b]pyrazin-3-one

Drug info:

PubChemData

Smile

CCNC(=O)C[C@H]1C2=C(C(=NO2)C)C3=C(C=C(C=C3)C4=CN(N=C4)C(C)(C)C)C(=N1)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations