Geometry & MOs

Info

ID:	67157
PubChem CID:	46505975
Reduced:	O2N3C32H49 (1)
Stoich.:	A2B3C32D49 (1)
Weight, g/mol:	508.377727
ΔH_f, kcal/mol:	-137.98
Dipole, Da:	4.03
IP(EA), eV:	-8.39(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-adamantyl)-N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCC1CCCCN1CCCNC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations