Geometry & MOs

Info

ID:	311167
PubChem CID:	126589678
Reduced:	NO5C22H33 (1)
Stoich.:	AB5C22D33 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-230.54
Dipole, Da:	4.54
IP(EA), eV:	-8.42(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-1-yl] carbamate

Drug info:

PubChemData

Smile

C/C=C\C1C(C2=C(C1COC(=O)N[C@@H](COC(C)(C)C)C(=O)O)CCC=C2)C

DOS

IR

Vibrations