Geometry & MOs

Info

ID:	158985
PubChem CID:	57244351
Reduced:	NSO7H13C15 (1)
Stoich.:	ABC7D13E15 (1)
Weight, g/mol:	299.220892
ΔH_f, kcal/mol:	-156.61
Dipole, Da:	11.11
IP(EA), eV:	-9.87(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[[(2R)-2-methylpyrrolidine-1-carbonyl]amino]butyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)O)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations