Geometry & MOs

Info

ID:	361428
PubChem CID:	127303342
Reduced:	OSN5C18H23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	309.205242
ΔH_f, kcal/mol:	30.13
Dipole, Da:	3.26
IP(EA), eV:	-8.6(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCC(CC2)CNC3=NC=NC4=C3SC=C4)C

DOS

IR

Vibrations