Geometry & MOs

Info

ID:	437109
PubChem CID:	135214895
Reduced:	NOC38H43 (1)
Stoich.:	ABC38D43 (1)
Weight, g/mol:	529.334465
ΔH_f, kcal/mol:	14.39
Dipole, Da:	3.84
IP(EA), eV:	-8.68(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[3-[4-[2-methyl-4-[2-methyl-4-(4-pentylphenyl)phenyl]phenyl]phenyl]propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=CC=C(C=C4)CCCN(C)C(=O)C=C)CC

DOS

IR

Vibrations