Geometry & MOs

Info

ID:	364751
PubChem CID:	127316057
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	355.146681
ΔH_f, kcal/mol:	-76.91
Dipole, Da:	3.6
IP(EA), eV:	-9.15(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethylthieno[2,3-b]pyridin-2-yl)-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=NC=CN2)NC(=O)C3CCCC3

DOS

IR

Vibrations