Geometry & MOs

Info

ID:	287655
PubChem CID:	104250521
Reduced:	BrNOSC10H16 (1)
Stoich.:	ABCDE10F16 (1)
Weight, g/mol:	247.053069
ΔH_f, kcal/mol:	-34.35
Dipole, Da:	2.09
IP(EA), eV:	-9.16(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dichlorophenyl)-3-methoxybutan-1-amine

Drug info:

PubChemData

Smile

CC(CC(CC1=C(C=CS1)Br)N)OC

DOS

IR

Vibrations