Geometry & MOs

Info

ID:	298778
PubChem CID:	117656541
Reduced:	O3N7C26H27 (1)
Stoich.:	A3B7C26D27 (1)
Weight, g/mol:	231.173548
ΔH_f, kcal/mol:	2.72
Dipole, Da:	3.88
IP(EA), eV:	-8.31(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[cyclopropyl(pyridin-2-yl)methyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

C1COCC1OC2=CC(=NC=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)NC(=C5)C(=O)N6CCNCC6

DOS

IR

Vibrations