Geometry & MOs

Info

ID:	30125
PubChem CID:	840182
Reduced:	OS2N3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	48.86
Dipole, Da:	2.71
IP(EA), eV:	-9.31(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)C=CC2=CC=CS2

DOS

IR

Vibrations