Geometry & MOs

Info

ID:	431138
PubChem CID:	135171208
Reduced:	FON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	547.392649
ΔH_f, kcal/mol:	-31.11
Dipole, Da:	3.37
IP(EA), eV:	-8.95(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-3-[2-[3-[1-(3-propan-2-yl-5-pyrrolidin-1-ylphenyl)propan-2-yl]-5-pyrrol-1-ylphenyl]ethyl]aniline

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=C(C=C2)F)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations