Geometry & MOs

Info

ID:	271931
PubChem CID:	103701666
Reduced:	ClNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	376.00565
ΔH_f, kcal/mol:	-14.34
Dipole, Da:	4.7
IP(EA), eV:	-8.44(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-2-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)CNCCCC#C)Cl)OC

DOS

IR

Vibrations