Geometry & MOs

Info

ID:	195332
PubChem CID:	78674357
Reduced:	BrO2N3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	382.195309
ΔH_f, kcal/mol:	-39.51
Dipole, Da:	4.43
IP(EA), eV:	-8.12(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC)Br)NCC(=O)NCC2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations