Geometry & MOs

Info

ID:	180676
PubChem CID:	76667833
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	302.210661
ΔH_f, kcal/mol:	-35.47
Dipole, Da:	4.7
IP(EA), eV:	-8.38(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(5-aminopyrazolidin-3-yl)-4-methylpiperidin-1-yl]-1-phenylethanone

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)CNC2=CC=CC=C2OC3=CC=CC=C3

DOS

IR

Vibrations