Geometry & MOs

Info

ID:	418024
PubChem CID:	135103327
Reduced:	O5N6C28H34 (1)
Stoich.:	A5B6C28D34 (1)
Weight, g/mol:	386.221895
ΔH_f, kcal/mol:	-69.78
Dipole, Da:	6.04
IP(EA), eV:	-8.68(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[4-(2,6-dimethylpyridin-3-yl)pyrimidin-2-yl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)C(=O)CC4=CN=CC=C4

DOS

IR

Vibrations