Geometry & MOs

Info

ID:	342109
PubChem CID:	127264822
Reduced:	ClN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-100.99
Dipole, Da:	4.15
IP(EA), eV:	-9.3(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4S)-4-methoxypyrrolidin-3-yl]-5-phenylpent-4-enamide

Drug info:

PubChemData

Smile

CO[C@H]1CNCC1NC(=O)CCC=CC2=CC=CC=C2.Cl

DOS

IR

Vibrations