Geometry & MOs

Info

ID:	126731
PubChem CID:	50975470
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	373.226646
ΔH_f, kcal/mol:	-81.5
Dipole, Da:	5.72
IP(EA), eV:	-8.6(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=CC=C2C(=O)NC(C3=C(NN=C3C)C)C(=O)O)C

DOS

IR

Vibrations