Geometry & MOs

Info

ID:	319940
PubChem CID:	126657636
Reduced:	IN2H25C31 (1)
Stoich.:	AB2C25D31 (1)
Weight, g/mol:	324.204907
ΔH_f, kcal/mol:	129.69
Dipole, Da:	2.31
IP(EA), eV:	-8.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(1S)-2-[(2R,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=NC=C(N=C2C3=CC(=CC(=C3)C)I)C4=CC=C(C=C4)C5=CC=CC=C5)C

DOS

IR

Vibrations