Geometry & MOs

Info

ID:	127268
PubChem CID:	50996661
Reduced:	Cl4N4O4H22C27 (1)
Stoich.:	A4B4C4D22E27 (1)
Weight, g/mol:	402.03275
ΔH_f, kcal/mol:	-108.81
Dipole, Da:	7.95
IP(EA), eV:	-9.12(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxypyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)NCCOC1=C(C=C(C=C1)Cl)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=C(C=C(C=C4Cl)Cl)Cl

DOS

IR

Vibrations