Geometry & MOs

Info

ID:	330853
PubChem CID:	127248260
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	437.213698
ΔH_f, kcal/mol:	-87.61
Dipole, Da:	2.68
IP(EA), eV:	-9.2(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[1-[[2-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO)C

DOS

IR

Vibrations