Geometry & MOs

Info

ID:	376607
PubChem CID:	134222628
Reduced:	FO3N8C23H27 (1)
Stoich.:	AB3C8D23E27 (1)
Weight, g/mol:	329.21435
ΔH_f, kcal/mol:	-62.28
Dipole, Da:	8.07
IP(EA), eV:	-9.39(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[4-(4-pentylphenyl)phenyl]aniline

Drug info:

PubChemData

Smile

C1C(CC1NC(C2CC(CN2C(=O)CN3C4=C(C=C(C=C4)C5=CN=NC=C5)C(=N3)C(=O)N)F)O)N

DOS

IR

Vibrations