Geometry & MOs

Info

ID:	123090
PubChem CID:	50832616
Reduced:	O2S2N5C19H21 (1)
Stoich.:	A2B2C5D19E21 (1)
Weight, g/mol:	361.155705
ΔH_f, kcal/mol:	34.87
Dipole, Da:	6.74
IP(EA), eV:	-9.19(-1.41)
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]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NC2=NN=C(S2)SCC3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations