Geometry & MOs

Info

ID:	363639
PubChem CID:	127311740
Reduced:	BrON5C16H24 (1)
Stoich.:	ABC5D16E24 (1)
Weight, g/mol:	379.294725
ΔH_f, kcal/mol:	11.39
Dipole, Da:	2.15
IP(EA), eV:	-8.73(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CCNC(=O)N1CCN(CC1)C2=NC=C(C=C2)Br)C3CC3

DOS

IR

Vibrations