Geometry & MOs

Info

ID:	31609
PubChem CID:	855931
Reduced:	SN3H15C19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	318.093918
ΔH_f, kcal/mol:	143.97
Dipole, Da:	4.37
IP(EA), eV:	-8.01(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations