Geometry & MOs

Info

ID:	27616
PubChem CID:	822627
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	331.047217
ΔH_f, kcal/mol:	-145.38
Dipole, Da:	4.99
IP(EA), eV:	-9.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-amino-4-(4-chloro-3-nitrophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C([C@@H](NC(=O)N1)C2=CC=CC=C2OC)C

DOS

IR

Vibrations