Geometry & MOs

Info

ID:	28728
PubChem CID:	829212
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	300.077789
ΔH_f, kcal/mol:	-16.76
Dipole, Da:	5.37
IP(EA), eV:	-8.63(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6-amino-4-(3-chlorophenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C2[C@@H](C(=C(OC2=NN1)N)C#N)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations