Geometry & MOs

Info

ID:	150410
PubChem CID:	53790100
Reduced:	ClN3H20C23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	540.236415
ΔH_f, kcal/mol:	73.32
Dipole, Da:	5.39
IP(EA), eV:	-8.91(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-2-oxoethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations