Geometry & MOs

Info

ID:	252339
PubChem CID:	103110656
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	-41.78
Dipole, Da:	5.55
IP(EA), eV:	-8.55(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-amino-2-methylphenyl)methyl]-3-(4-cyanophenyl)urea

Drug info:

PubChemData

Smile

CCCNC(=O)NCC1=C(C(=CC=C1)N)C

DOS

IR

Vibrations