Geometry & MOs

Info

ID:	346155
PubChem CID:	127270643
Reduced:	O2N7C20H29 (1)
Stoich.:	A2B7C20D29 (1)
Weight, g/mol:	376.227454
ΔH_f, kcal/mol:	-13.86
Dipole, Da:	4.42
IP(EA), eV:	-9.18(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NN=C2N1C=CC=C2)NC(=O)N3CCN(CC3)CC(=O)NC4CC4

DOS

IR

Vibrations