Geometry & MOs

Info

ID:	262030
PubChem CID:	103266862
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	-64.39
Dipole, Da:	6.06
IP(EA), eV:	-10.32(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(3-methylcyclopentyl)amino]methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1CCC(C1)NCC2=NC=NC=C2C(=O)O

DOS

IR

Vibrations