Geometry & MOs

Info

ID:	224633
PubChem CID:	85345445
Reduced:	N3O5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	-124.14
Dipole, Da:	5.19
IP(EA), eV:	-10.05(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(benzhydrylamino)methyl]pyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

CC(=O)NC(COC)C(=O)NCC1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations