Geometry & MOs

Info

ID:	49927
PubChem CID:	11538189
Reduced:	FN4H19C24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	382.298414
ΔH_f, kcal/mol:	70.0
Dipole, Da:	7.14
IP(EA), eV:	-8.69(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-N-[(4-propan-2-ylphenyl)methyl]pentane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(N=C2C3=CC=C(C=C3)F)CC4=NC5=CC=CC=C5N4

DOS

IR

Vibrations