Geometry & MOs

Info

ID:	433652
PubChem CID:	135173792
Reduced:	ClOSN7C37H38 (1)
Stoich.:	ABCD7E37F38 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	89.18
Dipole, Da:	4.4
IP(EA), eV:	-8.3(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminophenyl)-3-[2-(dimethylamino)-3-methylphenyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(S2)CN(C3)C(=O)CN4CCCC4)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CCCC8)Cl

DOS

IR

Vibrations