Geometry & MOs

Info

ID:	31615
PubChem CID:	855939
Reduced:	NH4C5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	287.105862
ΔH_f, kcal/mol:	150.6
Dipole, Da:	2.86
IP(EA), eV:	-8.32(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-5-phenyl-4H-1,3,4-benzotriazepine

Drug info:

PubChemData

Smile

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations