Geometry & MOs

Info

ID:	252509
PubChem CID:	103111842
Reduced:	O3N5C12H15 (1)
Stoich.:	A3B5C12D15 (1)
Weight, g/mol:	285.122575
ΔH_f, kcal/mol:	-27.6
Dipole, Da:	6.93
IP(EA), eV:	-9.82(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-[(2-methyl-3-nitrophenyl)methylamino]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=NC=CC=N2)C(=O)OCCOC

DOS

IR

Vibrations