Geometry & MOs

Info

ID:	31719
PubChem CID:	866158
Reduced:	ON4H18C21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	313.132746
ΔH_f, kcal/mol:	108.98
Dipole, Da:	2.09
IP(EA), eV:	-8.16(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2,5-dipyridin-4-yl-4H-1,3,4-benzotriazepine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations