Geometry & MOs

Info

ID:	387294
PubChem CID:	134984788
Reduced:	N2C4O5H8 (1)
Stoich.:	A2B4C5D8 (1)
Weight, g/mol:	493.1001
ΔH_f, kcal/mol:	-59.44
Dipole, Da:	1.39
IP(EA), eV:	-11.35(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,5R)-2-benzyl-1-[(4-bromophenyl)carbamoyl]-5-phenylpyrazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(C)O[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations