Geometry & MOs

Info

ID:	298124
PubChem CID:	117647638
Reduced:	N11C35H43 (1)
Stoich.:	A11B35C43 (1)
Weight, g/mol:	513.259169
ΔH_f, kcal/mol:	183.14
Dipole, Da:	4.36
IP(EA), eV:	-8.53(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(3-aminopropyl)phenyl]-2-fluorophenyl]-3-[4-(3-butylphenyl)-2-fluorophenyl]urea

Drug info:

PubChemData

Smile

CC(=NC/C=C/C1=CC(=CC(=C1)C2=CC(=CC=C2)C3=CC(=CC(=C3)/C=C/CN=C(N)N)/C=C/CN=C(N)N)/C=C/CN=C(N)N)N

DOS

IR

Vibrations