Geometry & MOs

Info

ID:	431629
PubChem CID:	135171725
Reduced:	O3N4C27H36 (1)
Stoich.:	A3B4C27D36 (1)
Weight, g/mol:	421.355594
ΔH_f, kcal/mol:	-81.76
Dipole, Da:	10.77
IP(EA), eV:	-8.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]-2,4,4,5,5,8,8-heptamethyltridec-6-enamide

Drug info:

PubChemData

Smile

CC(C)CN(C1CCC(CC1)OC)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NC=C(C=C3)C#N

DOS

IR

Vibrations