Geometry & MOs

Info

ID:	188922
PubChem CID:	77786803
Reduced:	N4C31H38 (1)
Stoich.:	A4B31C38 (1)
Weight, g/mol:	404.231122
ΔH_f, kcal/mol:	36.84
Dipole, Da:	2.23
IP(EA), eV:	-8.17(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetamido-3-acetyloxy-3-(6-oct-1-enylpyridin-2-yl)propyl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2C3=CC=CC=C3C4=C(C=C(N=C42)C)N5CCCC5CNC6CCCC6)C

DOS

IR

Vibrations