Geometry & MOs

Info

ID:	342108
PubChem CID:	127264821
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	310.144806
ΔH_f, kcal/mol:	-46.83
Dipole, Da:	6.28
IP(EA), eV:	-8.76(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1CCN(C1)CC2=CC=CC=C2)NC(=O)NC3=CC4=C(COC4)C=C3

DOS

IR

Vibrations