Geometry & MOs

Info

ID:	307334
PubChem CID:	125299609
Reduced:	BrO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	466.06405
ΔH_f, kcal/mol:	48.26
Dipole, Da:	5.12
IP(EA), eV:	-8.91(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-6-amino-4-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-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=C(C(=CC=C3)OC)OCC4=CC=C(C=C4)Br)C#N)N

DOS

IR

Vibrations