Geometry & MOs

Info

ID:	428007
PubChem CID:	135165735
Reduced:	ON2C19H28 (1)
Stoich.:	AB2C19D28 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	-40.95
Dipole, Da:	3.65
IP(EA), eV:	-8.57(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-propan-2-ylpiperazin-1-yl)-(1-pyrazin-2-ylcyclopropyl)methanone

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)C2(CCCC2)C3=CC=CC=C3

DOS

IR

Vibrations