Geometry & MOs

Info

ID:	276386
PubChem CID:	103822934
Reduced:	S2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	43.57
Dipole, Da:	2.45
IP(EA), eV:	-9.14(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(1-phenylpent-4-enylamino)propan-1-ol

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNC(C)C2=CSC(=N2)C

DOS

IR

Vibrations