Geometry & MOs

Info

ID:	187448
PubChem CID:	77572481
Reduced:	N3O3C23H30 (1)
Stoich.:	A3B3C23D30 (1)
Weight, g/mol:	310.146347
ΔH_f, kcal/mol:	-85.33
Dipole, Da:	19.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.101794
Charge, e:	0

Chem-info

IUPAC name:

4-(3-benzylpyrrolidin-1-yl)sulfonylpyrazolidin-3-amine

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)NC3CC4CCC(C3)[N+]45CC(C5)O

DOS

IR

Vibrations