Geometry & MOs

Info

ID:	31516
PubChem CID:	855814
Reduced:	ON4H18C21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	333.093583
ΔH_f, kcal/mol:	109.8
Dipole, Da:	2.5
IP(EA), eV:	-8.15(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC)C4=CC=NC=C4

DOS

IR

Vibrations