Geometry & MOs

Info

ID:	392150
PubChem CID:	135013332
Reduced:	ON2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	275.136887
ΔH_f, kcal/mol:	-37.09
Dipole, Da:	4.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760543
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2R,4S)-4-(methoxymethoxy)-2-[methoxy(methyl)carbamoyl]cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=[N+](CCN1C(=O)C)C

DOS

IR

Vibrations