Geometry & MOs

Info

ID:	89993
PubChem CID:	49965756
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	374.03784
ΔH_f, kcal/mol:	-69.33
Dipole, Da:	4.3
IP(EA), eV:	-8.85(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=CC=C3)OC4CCCC4

DOS

IR

Vibrations