Geometry & MOs

Info

ID:	311395
PubChem CID:	126591346
Reduced:	O4C29H30 (1)
Stoich.:	A4B29C30 (1)
Weight, g/mol:	417.216007
ΔH_f, kcal/mol:	-83.69
Dipole, Da:	3.77
IP(EA), eV:	-8.79(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S)-4-[bis(2-thiophen-2-ylethyl)amino]-2-[(Z)-prop-1-enyl]cyclohexyl]propan-2-ol

Drug info:

PubChemData

Smile

C/C(=C\C=C(/C)\OCCO)/C1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=C(C=C4)OCCO

DOS

IR

Vibrations