Geometry & MOs

Info

ID:	311906
PubChem CID:	126599266
Reduced:	O4C15H28 (1)
Stoich.:	A4B15C28 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-191.12
Dipole, Da:	1.21
IP(EA), eV:	-9.53(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CCCOC1[C@H](O[C@H](C1O)C(C)C(C)C=C)COC

DOS

IR

Vibrations