Geometry & MOs

Info

ID:	395356
PubChem CID:	135025262
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-38.58
Dipole, Da:	2.36
IP(EA), eV:	-8.92(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-(cyanomethyl)-3-(4-methoxyphenyl)-3-pyrrolidin-1-ylprop-2-enoate

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@@H](C1)C(C3=C2CCCC3)O

DOS

IR

Vibrations