Geometry & MOs

Info

ID:	390681
PubChem CID:	135000353
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	269.162708
ΔH_f, kcal/mol:	-77.39
Dipole, Da:	3.32
IP(EA), eV:	-9.25(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S)-2-butoxy-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@@]1(C[C@@H]1/C=C/C2=CC=CC=C2)C(=O)N3CCCC3

DOS

IR

Vibrations