Geometry & MOs

Info

ID:	349322
PubChem CID:	127275109
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	-37.52
Dipole, Da:	5.08
IP(EA), eV:	-8.74(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1,4-oxazepan-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CCCC4

DOS

IR

Vibrations