Geometry & MOs

Info

ID:	377186
PubChem CID:	134223224
Reduced:	ISC30H51 (1)
Stoich.:	ABC30D51 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-80.86
Dipole, Da:	3.22
IP(EA), eV:	-9.04(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-phenylethylamino)prop-2-enylamino]ethanol

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2C(C=C4[C@@]3(CC[C@@H](C4)S)C)CC(C)I)C

DOS

IR

Vibrations