Geometry & MOs

Info

ID:	31622
PubChem CID:	855947
Reduced:	ON3H15C19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	303.083019
ΔH_f, kcal/mol:	91.32
Dipole, Da:	7.53
IP(EA), eV:	-9.02(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=C2C3=CC=CO3)C4=CC=CC=C4

DOS

IR

Vibrations