Geometry & MOs

Info

ID:	427246
PubChem CID:	135156408
Reduced:	OC4H8 (3)
Stoich.:	AB4C8 (3)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-113.9
Dipole, Da:	2.56
IP(EA), eV:	-9.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-[1-(2-hydroxy-2-methylpropyl)azepan-4-ylidene]methyl]benzoate

Drug info:

PubChemData

Smile

CCCCC(CC)C(=O)OOCC(C)C

DOS

IR

Vibrations