Geometry & MOs

Info

ID:	435965
PubChem CID:	135193052
Reduced:	OSN2C26H34 (1)
Stoich.:	ABC2D26E34 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	82.62
Dipole, Da:	1.83
IP(EA), eV:	-8.08(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,3E)-2,3-di(ethylidene)-4a,8a-dihydro-4H-1,4-benzoxazine

Drug info:

PubChemData

Smile

CC[C@@H](CCCCNSC1=CC=C(C=C1)C)N2C3C=CC=CC3OC4=CCCC=C42

DOS

IR

Vibrations