Geometry & MOs

Info

ID:	356567
PubChem CID:	127291793
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-50.61
Dipole, Da:	4.84
IP(EA), eV:	-9.22(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(3,4-dimethylthieno[2,3-b]pyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CCC3=NC(=NO3)C)C

DOS

IR

Vibrations