Geometry & MOs

Info

ID:	427002
PubChem CID:	135154977
Reduced:	SO2N6C25H32 (1)
Stoich.:	AB2C6D25E32 (1)
Weight, g/mol:	318.09642
ΔH_f, kcal/mol:	-28.75
Dipole, Da:	4.03
IP(EA), eV:	-8.08(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxy-5-nitrophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)NC2CCNCC2)NC3=NC4=C(C(=N3)N5[C@H](COC5=O)C(C)C)SC=C4

DOS

IR

Vibrations