Geometry & MOs

Info

ID:	135092
PubChem CID:	51812736
Reduced:	N2O4C27H32 (1)
Stoich.:	A2B4C27D32 (1)
Weight, g/mol:	294.230728
ΔH_f, kcal/mol:	-115.99
Dipole, Da:	2.19
IP(EA), eV:	-9.3(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R)-N-tert-butyl-2-[3-methylbut-2-enoyl(propyl)amino]pent-3-enamide

Drug info:

PubChemData

Smile

CCCN([C@H](C1=CC=CO1)C(=O)NC(C)(C)C)C(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

DOS

IR

Vibrations