Geometry & MOs

Info

ID:	31421
PubChem CID:	855699
Reduced:	FO2N3H14C19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	317.116427
ΔH_f, kcal/mol:	32.71
Dipole, Da:	4.82
IP(EA), eV:	-8.24(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-7-methoxy-5-phenyl-4H-1,3,4-benzotriazepine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CO4)F

DOS

IR

Vibrations