Geometry & MOs

Info

ID:	123137
PubChem CID:	50834954
Reduced:	FSN3O3H14C16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	467.172417
ΔH_f, kcal/mol:	-105.62
Dipole, Da:	2.28
IP(EA), eV:	-8.89(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(N-acetylanilino)methyl]-N-(5-chloro-2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=C(C(=O)N12)NC(=O)COC3=CC=C(C=C3)F)C

DOS

IR

Vibrations