Geometry & MOs

Info

ID:	447152
PubChem CID:	135280717
Reduced:	ClN4H17C26 (1)
Stoich.:	AB4C17D26 (1)
Weight, g/mol:	486.229873
ΔH_f, kcal/mol:	138.21
Dipole, Da:	3.94
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[3-cyclopropyl-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-(1H-indol-3-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations