Geometry & MOs

Info

ID:	394757
PubChem CID:	135023705
Reduced:	GeN3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	277.146664
ΔH_f, kcal/mol:	75.69
Dipole, Da:	2.16
IP(EA), eV:	-8.54(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzylidene-2,3,3a,6-tetrahydro-1H-pyrrolo[1,2-a][4,1]benzoxazepine

Drug info:

PubChemData

Smile

C[Ge](C)(C)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=CC=C3

DOS

IR

Vibrations