Geometry & MOs

Info

ID:	445365
PubChem CID:	135266501
Reduced:	FN5C29H34 (1)
Stoich.:	AB5C29D34 (1)
Weight, g/mol:	346.240899
ΔH_f, kcal/mol:	40.33
Dipole, Da:	2.63
IP(EA), eV:	-8.13(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-3-[1,4,5-trimethyl-2-(4-methylphenyl)pyrrol-3-yl]aniline

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1C)C2=CC=C(C=C2)F)C3=CC(=CC=C3)N4CCN(CC4)C5=CCNCC5)C(=C)N

DOS

IR

Vibrations