Geometry & MOs

Info

ID:	445261
PubChem CID:	135265618
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	323.246044
ΔH_f, kcal/mol:	-3.12
Dipole, Da:	3.29
IP(EA), eV:	-8.78(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,2-dimethyl-3-[(1E)-1-[methyl-[(Z)-3-methylhept-5-en-2-yl]amino]buta-1,3-dienoxy]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1C2=CC=C(C=C2)C3=NC=CN3)OCC(C)(C)C(=C4CCC4)O

DOS

IR

Vibrations