Geometry & MOs

Info

ID:	123091
PubChem CID:	50832667
Reduced:	ClO2N3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	333.124405
ΔH_f, kcal/mol:	-48.56
Dipole, Da:	4.55
IP(EA), eV:	-9.37(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(4-chlorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC2=C(C1)C(=NN2C)COCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations