Geometry & MOs

Info

ID:	261473
PubChem CID:	103235374
Reduced:	O2N5C12H19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-26.85
Dipole, Da:	7.98
IP(EA), eV:	-9.07(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-ethylbut-2-enoate

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)NCCN3C=C(N=N3)C(=O)O

DOS

IR

Vibrations