Geometry & MOs

Info

ID:	123254
PubChem CID:	50839508
Reduced:	N2S2F3O4H17C18 (1)
Stoich.:	A2B2C3D4E17F18 (1)
Weight, g/mol:	454.236876
ΔH_f, kcal/mol:	-214.4
Dipole, Da:	8.29
IP(EA), eV:	-9.12(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(S1)C)S(=O)(=O)NCC2=CC(=CC=C2)OC)C3=NOC(=C3)C(F)(F)F

DOS

IR

Vibrations