Geometry & MOs

Info

ID:	130861
PubChem CID:	51118877
Reduced:	OSN4C13H22 (1)
Stoich.:	ABC4D13E22 (1)
Weight, g/mol:	376.178693
ΔH_f, kcal/mol:	-3.45
Dipole, Da:	4.57
IP(EA), eV:	-8.93(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methoxyphenyl)azepan-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CN(C)C1(CCCCCC1)CNC(=O)C2=NSN=C2

DOS

IR

Vibrations