Geometry & MOs

Info

ID:	248274
PubChem CID:	103080163
Reduced:	O3N4C11H12 (1)
Stoich.:	A3B4C11D12 (1)
Weight, g/mol:	299.159354
ΔH_f, kcal/mol:	13.06
Dipole, Da:	5.85
IP(EA), eV:	-8.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(1-methyl-4-nitropyrazol-3-yl)amino]propyl]carbamate

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2=CC=CC=C2O)[N+](=O)[O-]

DOS

IR

Vibrations