Geometry & MOs

Info

ID:	127410
PubChem CID:	51001128
Reduced:	O2N3C25H29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	1.61
Dipole, Da:	7.2
IP(EA), eV:	-8.22(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-hydroxy-3-[4-[(1R)-1-[(2R)-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C[C@H]3CCCN3[C@@H](C)C4=CC=C(C=C4)/C=C/C(=O)NO

DOS

IR

Vibrations