Geometry & MOs

Info

ID:	383069
PubChem CID:	134974577
Reduced:	NO7C23H29 (1)
Stoich.:	AB7C23D29 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-236.81
Dipole, Da:	4.79
IP(EA), eV:	-9.72(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-6-phenylmethoxy-3-pyrrolidin-1-ylhex-2-enoate

Drug info:

PubChemData

Smile

CC1C2CC(=O)[C@H]3[C@](O3)(C(O2)(OC1[C@H](C)/C=C(\C)/C=C/C(=C\4/C(=O)CNC4=O)/O)C)C

DOS

IR

Vibrations