Geometry & MOs

Info

ID:	438187
PubChem CID:	135227816
Reduced:	FNC7H16 (1)
Stoich.:	ABC7D16 (1)
Weight, g/mol:	153.115364
ΔH_f, kcal/mol:	-76.94
Dipole, Da:	3.11
IP(EA), eV:	-9.45(3.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-6,7-dihydrooxazepine

Drug info:

PubChemData

Smile

CCC(C)C(CN)CF

DOS

IR

Vibrations