Geometry & MOs

Info

ID:	430373
PubChem CID:	135170437
Reduced:	ON3C20H22 (2)
Stoich.:	AB3C20D22 (2)
Weight, g/mol:	300.220164
ΔH_f, kcal/mol:	48.38
Dipole, Da:	3.75
IP(EA), eV:	-8.38(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-[[3-methyl-2-(2-methylphenyl)but-2-enyl]amino]propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(=C)C(=O)NCCCNCC1=C2C=CC(=CC2=C(C3=CC=CC=C31)CNCCCNC(=O)C(=C)C)C4=CC(=NC=C4)C5=CC=CC=N5

DOS

IR

Vibrations