Geometry & MOs

Info

ID:	179496
PubChem CID:	76490589
Reduced:	NSO5C19H27 (1)
Stoich.:	ABC5D19E27 (1)
Weight, g/mol:	332.140389
ΔH_f, kcal/mol:	-203.0
Dipole, Da:	2.98
IP(EA), eV:	-9.02(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-chlorophenyl)-3-N-[(3-methoxyphenyl)methyl]pyrazolidine-3,4-diamine

Drug info:

PubChemData

Smile

CC(C)(C)COC1C2=C(C=CO2)N3C(S1)C(C3=O)CC(=O)OC(C)(C)C

DOS

IR

Vibrations