Geometry & MOs

Info

ID:	177595
PubChem CID:	76202846
Reduced:	ClNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	241.157898
ΔH_f, kcal/mol:	-80.86
Dipole, Da:	2.14
IP(EA), eV:	-9.09(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(naphthalen-2-ylmethyl)-1-pyrazolidin-4-ylmethanamine

Drug info:

PubChemData

Smile

CCC1=C(N=C2C(=CC(C(=C2C1=O)OC)Cl)OC)C

DOS

IR

Vibrations