Geometry & MOs

Info

ID:	444848
PubChem CID:	135263747
Reduced:	SO5N7C36H41 (1)
Stoich.:	AB5C7D36E41 (1)
Weight, g/mol:	238.168128
ΔH_f, kcal/mol:	-103.38
Dipole, Da:	6.65
IP(EA), eV:	-8.28(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2H-pyridin-1-yl)ethyl 2-amino-3-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=O)C3=C(O2)C(=CS3)C4=CC=C(C=C4)NC5=NC=C6C=C(N(C6=N5)C7CCCC7)C(=O)N(C)C

DOS

IR

Vibrations