Geometry & MOs

Info

ID:	194568
PubChem CID:	78558068
Reduced:	N4O5C19H24 (1)
Stoich.:	A4B5C19D24 (1)
Weight, g/mol:	371.122969
ΔH_f, kcal/mol:	-108.85
Dipole, Da:	10.55
IP(EA), eV:	-9.36(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C

DOS

IR

Vibrations