Geometry & MOs

Info

ID:	364371
PubChem CID:	127315548
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	391.207133
ΔH_f, kcal/mol:	-70.19
Dipole, Da:	7.42
IP(EA), eV:	-9.8(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1CCC2=NC=NN2C1)OC3CCCC3

DOS

IR

Vibrations