Geometry & MOs

Info

ID:	146036
PubChem CID:	53626166
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	344.167083
ΔH_f, kcal/mol:	-96.98
Dipole, Da:	2.38
IP(EA), eV:	-8.18(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)NC2=CC=C(C=C2)NC(=O)CC3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations