Geometry & MOs

Info

ID:	128895
PubChem CID:	51062599
Reduced:	BrON4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	255.194677
ΔH_f, kcal/mol:	14.78
Dipole, Da:	3.46
IP(EA), eV:	-9.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(piperidin-2-ylmethyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)NC2=NC=CN=C2)C)Br

DOS

IR

Vibrations