Geometry & MOs

Info

ID:	415323
PubChem CID:	135088317
Reduced:	FO3N5C18H22 (1)
Stoich.:	AB3C5D18E22 (1)
Weight, g/mol:	390.13036
ΔH_f, kcal/mol:	-91.67
Dipole, Da:	6.51
IP(EA), eV:	-8.92(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CCN(CC2)C(=O)CCNC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations