Geometry & MOs

Info

ID:	336351
PubChem CID:	127255358
Reduced:	F3N3O5H24C26 (1)
Stoich.:	A3B3C5D24E26 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-291.67
Dipole, Da:	6.55
IP(EA), eV:	-8.8(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F)O

DOS

IR

Vibrations