Geometry & MOs

Info

ID:	439526
PubChem CID:	135229302
Reduced:	SN3O8C28H49 (1)
Stoich.:	AB3C8D28E49 (1)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	-407.85
Dipole, Da:	4.53
IP(EA), eV:	-9.37(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(3-propan-2-ylcyclopentyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCC(C)(C)CC(COC(=O)CSCC(=O)OCCCNC(=O)N(C(CC)CC)C(=O)N(CC=C)C(=O)C)O

DOS

IR

Vibrations