Geometry & MOs

Info

ID:	246614
PubChem CID:	103061498
Reduced:	O2N7C9H11 (1)
Stoich.:	A2B7C9D11 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	101.24
Dipole, Da:	8.27
IP(EA), eV:	-9.35(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol

Drug info:

PubChemData

Smile

CC1=CN(N=C1[N+](=O)[O-])CC2=CN=C(C=N2)NN

DOS

IR

Vibrations