Geometry & MOs

Info

ID:	303120
PubChem CID:	124489235
Reduced:	H3N3C6O7 (1)
Stoich.:	A3B3C6D7 (1)
Weight, g/mol:	256.215078
ΔH_f, kcal/mol:	-28.81
Dipole, Da:	1.92
IP(EA), eV:	-11.48(-2.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C\1=C(C=C(C(=O)/C1=[N+](\O)/[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations