Geometry & MOs

Info

ID:	196507
PubChem CID:	78839370
Reduced:	SO2N5C17H23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-0.59
Dipole, Da:	4.0
IP(EA), eV:	-8.59(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-1,4-diazepan-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(=O)CSC2=NN=CN2C3=CC=C(C=C3)OC

DOS

IR

Vibrations