Geometry & MOs

Info

ID:	436142
PubChem CID:	135194077
Reduced:	ClFO2N4C29H30 (1)
Stoich.:	ABC2D4E29F30 (1)
Weight, g/mol:	411.146203
ΔH_f, kcal/mol:	-47.56
Dipole, Da:	5.1
IP(EA), eV:	-8.35(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-ethyl-N-[[4-(4-oxopiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N2C=C(C=CC2=N1)Cl)C(=O)NCC3=CC=C(C=C3)N4CCC(CC4)C5=CC(=C(C=C5)OC)F

DOS

IR

Vibrations