Geometry & MOs

Info

ID:	178415
PubChem CID:	76325394
Reduced:	O2N3H17C20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	253.132746
ΔH_f, kcal/mol:	6.58
Dipole, Da:	3.11
IP(EA), eV:	-9.27(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzotriazole

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OC2=CC(=O)NC(=C2)NC3=CC=C(C=C3)C#N

DOS

IR

Vibrations