Geometry & MOs

Info

ID:	30550
PubChem CID:	841483
Reduced:	N3O3C10H15 (1)
Stoich.:	A3B3C10D15 (1)
Weight, g/mol:	318.09642
ΔH_f, kcal/mol:	-112.33
Dipole, Da:	7.24
IP(EA), eV:	-9.6(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1CNC(=O)CCC(=O)O)C

DOS

IR

Vibrations