Geometry & MOs

Info

ID:	265517
PubChem CID:	103526952
Reduced:	BrClSN2O2C10H12 (1)
Stoich.:	ABCD2E2F10G12 (1)
Weight, g/mol:	247.14331
ΔH_f, kcal/mol:	-42.82
Dipole, Da:	3.99
IP(EA), eV:	-9.82(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(6-methoxypyridin-2-yl)methanamine

Drug info:

PubChemData

Smile

CC(=CCNS(=O)(=O)C1=C(N=CC(=C1)Br)Cl)C

DOS

IR

Vibrations