Geometry & MOs

Info

ID:	158849
PubChem CID:	57244076
Reduced:	O2N3C14H31 (1)
Stoich.:	A2B3C14D31 (1)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	-133.68
Dipole, Da:	1.75
IP(EA), eV:	-8.71(1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyanopyridin-2-yl) 2-hydroxy-3,3-dimethyl-4-pyrrol-1-ylbutanoate

Drug info:

PubChemData

Smile

CC(N(C(C)O)C(C)(C)NCCN1CCCCC1)O

DOS

IR

Vibrations