Geometry & MOs

Info

ID:	125969
PubChem CID:	50946100
Reduced:	FON7C21H24 (1)
Stoich.:	ABC7D21E24 (1)
Weight, g/mol:	328.201159
ΔH_f, kcal/mol:	-3.03
Dipole, Da:	4.58
IP(EA), eV:	-8.95(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(2-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC(=NC(=N2)C)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)F)C

DOS

IR

Vibrations