Geometry & MOs

Info

ID:	257265
PubChem CID:	103144783
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	-55.52
Dipole, Da:	3.25
IP(EA), eV:	-7.81(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-2,5-dimethylphenyl)-3-(4-cyanophenyl)urea

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)NC2=CC(=C(C=C2C)N)C

DOS

IR

Vibrations