Geometry & MOs

Info

ID:	424356
PubChem CID:	135122342
Reduced:	N5O5C30H41 (1)
Stoich.:	A5B5C30D41 (1)
Weight, g/mol:	241.09819
ΔH_f, kcal/mol:	-181.12
Dipole, Da:	8.54
IP(EA), eV:	-9.35(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CC(C)(C)COC(=O)C4=CC=C(C=C4)C(=O)N5CCNCC5

DOS

IR

Vibrations