Geometry & MOs

Info

ID:	31720
PubChem CID:	866159
Reduced:	N5H15C19 (1)
Stoich.:	A5B15C19 (1)
Weight, g/mol:	313.132746
ΔH_f, kcal/mol:	161.14
Dipole, Da:	4.88
IP(EA), eV:	-8.45(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations