Geometry & MOs

Info

ID:	142885
PubChem CID:	53108489
Reduced:	N5O5C26H33 (1)
Stoich.:	A5B5C26D33 (1)
Weight, g/mol:	408.26376
ΔH_f, kcal/mol:	-159.32
Dipole, Da:	9.5
IP(EA), eV:	-8.5(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N=CC(=C2)NC(=O)C3=CC=CC=C3OC)N4CCNCC4

DOS

IR

Vibrations