Geometry & MOs

Info

ID:	137938
PubChem CID:	52287481
Reduced:	ClN2O4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-70.31
Dipole, Da:	6.61
IP(EA), eV:	-8.66(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Cl)N(CN2C3=CC4=C(C=C3C(=O)C2=O)OCCO4)C5CC5

DOS

IR

Vibrations