Geometry & MOs

Info

ID:	28715
PubChem CID:	829113
Reduced:	OSN3H15C19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	312.12224
ΔH_f, kcal/mol:	68.42
Dipole, Da:	4.12
IP(EA), eV:	-8.46(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-amino-4-(3,4-dihydroxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC(=C2C3=C(CCC3)SC2=N1)OC4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations