Geometry & MOs

Info

ID:	260508
PubChem CID:	103194151
Reduced:	O2N5C14H21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	-59.42
Dipole, Da:	7.12
IP(EA), eV:	-8.67(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CCCC1=C(C(=NN1)C(=O)N2CCCC3C2CNC3=O)N

DOS

IR

Vibrations