Geometry & MOs

Info

ID:	364077
PubChem CID:	127313866
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	357.172228
ΔH_f, kcal/mol:	-143.68
Dipole, Da:	1.43
IP(EA), eV:	-8.55(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-[[4-(oxan-4-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole

Drug info:

PubChemData

Smile

C1COCCC1CN2CC(OC3=CC=CC=C32)C(=O)N4CCOCC4

DOS

IR

Vibrations