Geometry & MOs

Info

ID:	397110
PubChem CID:	135029748
Reduced:	ClOC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	319.193614
ΔH_f, kcal/mol:	-41.18
Dipole, Da:	2.88
IP(EA), eV:	-8.73(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6S)-2-tert-butyl-6-phenyl-5-[(E)-2-phenylethenyl]-5,6-dihydro-4H-1,3-oxazine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)OC2=CC=C(C=C2)Cl)C(C)(C)C

DOS

IR

Vibrations