Geometry & MOs

Info

ID:	430362
PubChem CID:	135170426
Reduced:	O3N4C32H42 (1)
Stoich.:	A3B4C32D42 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-76.9
Dipole, Da:	2.58
IP(EA), eV:	-8.47(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-formylphenyl)methylamino]propyl]-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(=C)C(=O)NCCCNCC1=C2C=C(C=CC2=C(C3=CC=CC=C31)CNCCCNC(=O)C(C)(C)C)C=O

DOS

IR

Vibrations