Geometry & MOs

Info

ID:	171312
PubChem CID:	75356812
Reduced:	SN4O5C19H22 (1)
Stoich.:	AB4C5D19E22 (1)
Weight, g/mol:	241.123342
ΔH_f, kcal/mol:	-151.01
Dipole, Da:	6.15
IP(EA), eV:	-8.27(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2C(=O)C(NC2=O)CC(=O)NCCC3=NC=CS3)OC

DOS

IR

Vibrations