Geometry & MOs

Info

ID:	419109
PubChem CID:	135107523
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	-4.37
Dipole, Da:	3.57
IP(EA), eV:	-9.2(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4-diazepan-1-yl]-2-thiophen-3-ylethanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

DOS

IR

Vibrations