Geometry & MOs

Info

ID:	423188
PubChem CID:	135119065
Reduced:	N5O7C32H49 (1)
Stoich.:	A5B7C32D49 (1)
Weight, g/mol:	303.125073
ΔH_f, kcal/mol:	-307.15
Dipole, Da:	3.0
IP(EA), eV:	-8.89(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)[C@@H]3CCCO3

DOS

IR

Vibrations