Geometry & MOs

Info

ID:	388452
PubChem CID:	134989203
Reduced:	SN4C11H12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	158.073165
ΔH_f, kcal/mol:	90.52
Dipole, Da:	9.37
IP(EA), eV:	-8.24(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-benzoxepine

Drug info:

PubChemData

Smile

CN(C)C1=NC(=S)N=C(N1)C2=CC=CC=C2

DOS

IR

Vibrations