Geometry & MOs

Info

ID:	363156
PubChem CID:	127310189
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	-102.27
Dipole, Da:	3.57
IP(EA), eV:	-9.1(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethylthieno[2,3-b]pyridin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3CC4CCCC(C3)C4=O

DOS

IR

Vibrations