Geometry & MOs

Info

ID:	299953
PubChem CID:	118043407
Reduced:	O3N5C27H27 (1)
Stoich.:	A3B5C27D27 (1)
Weight, g/mol:	153.115364
ΔH_f, kcal/mol:	24.96
Dipole, Da:	2.36
IP(EA), eV:	-8.71(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S)-2-methylcyclopentyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NC2CC2)C3=CC4=CN=C(N=C4C=C3)N[C@@H]5CCC[C@@H]5NC(=O)C#C

DOS

IR

Vibrations