Geometry & MOs

Info

ID:	45843
PubChem CID:	10518146
Reduced:	ClNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	298.154209
ΔH_f, kcal/mol:	-134.27
Dipole, Da:	2.61
IP(EA), eV:	-9.43(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-cyano-3-[(4-methoxyphenyl)methylamino]-1H-pyrazol-5-yl]-N,N-dimethylmethanimidamide

Drug info:

PubChemData

Smile

CCOC(=O)N(CC(=O)C(C)(C)C)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations