Geometry & MOs

Info

ID:	282263
PubChem CID:	103920412
Reduced:	SN2O3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	328.00904
ΔH_f, kcal/mol:	-67.89
Dipole, Da:	0.63
IP(EA), eV:	-8.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNCC2=C(OC=C2)C(=O)OC

DOS

IR

Vibrations