Geometry & MOs

Info

ID:	307645
PubChem CID:	125307897
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	5.45
Dipole, Da:	1.68
IP(EA), eV:	-8.36(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-6-amino-4-(3-methoxy-4-propan-2-yloxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1C2=C(N=N1)OC(=C([C@H]2C3=CC(=C(C=C3)OC(C)C)OC)C#N)N

DOS

IR

Vibrations