Geometry & MOs

Info

ID:	396884
PubChem CID:	135029387
Reduced:	O2N5H15C16 (1)
Stoich.:	A2B5C15D16 (1)
Weight, g/mol:	359.138225
ΔH_f, kcal/mol:	33.88
Dipole, Da:	4.95
IP(EA), eV:	-9.96(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(benzotriazol-1-yl)-4-methyl-6-phenylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(N=C1C2=CC=CC=C2)N3C=NC=N3)C

DOS

IR

Vibrations