Geometry & MOs

Info

ID:	138620
PubChem CID:	52395145
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-58.41
Dipole, Da:	2.3
IP(EA), eV:	-8.88(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CN(C)[C@@H](C)C2=NC=NC=C2)C)COC(=O)C)C

DOS

IR

Vibrations