Geometry & MOs

Info

ID:	424419
PubChem CID:	135122625
Reduced:	Cl2O3N5H19C20 (1)
Stoich.:	A2B3C5D19E20 (1)
Weight, g/mol:	302.070116
ΔH_f, kcal/mol:	-32.46
Dipole, Da:	6.81
IP(EA), eV:	-8.79(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5-dichloropyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)COC1=CC2=C(C=CC(=C2)NC3=NC(=NC=C3Cl)Cl)N(C1=O)CC4CC4

DOS

IR

Vibrations