Geometry & MOs

Info

ID:	386724
PubChem CID:	134982697
Reduced:	O2C19H26 (1)
Stoich.:	A2B19C26 (1)
Weight, g/mol:	213.092042
ΔH_f, kcal/mol:	-52.04
Dipole, Da:	1.73
IP(EA), eV:	-8.58(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-3-chloro-2-methoxy-3H-azepine

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)C=C=C(C)C1=C(CCCC1)C#CC

DOS

IR

Vibrations