Geometry & MOs

Info

ID:	12915
PubChem CID:	148319
Reduced:	NO4C26H27 (1)
Stoich.:	AB4C26D27 (1)
Weight, g/mol:	417.194008
ΔH_f, kcal/mol:	-98.06
Dipole, Da:	2.53
IP(EA), eV:	-8.91(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,7R,8R)-7-(3-phenylprop-2-enoyloxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

C1CN2CC[C@H]([C@H]2[C@H]1COC(=O)C=CC3=CC=CC=C3)OC(=O)C=CC4=CC=CC=C4

DOS

IR

Vibrations