Geometry & MOs

Info

ID:	366586
PubChem CID:	127320115
Reduced:	O2N3C18H33 (1)
Stoich.:	A2B3C18D33 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-126.38
Dipole, Da:	5.12
IP(EA), eV:	-8.45(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)-3-oxopropyl]-4-(4-ethylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC(=O)N1CCCCCC1)N2CCCCCC2

DOS

IR

Vibrations