Geometry & MOs

Info

ID:	89989
PubChem CID:	49965748
Reduced:	N3O7C33H39 (1)
Stoich.:	A3B7C33D39 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-192.63
Dipole, Da:	7.44
IP(EA), eV:	-8.28(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-(3-methoxy-4-propoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)/C=C/2\CN(CC3=C2OC(=C(C3C4=CC(=C(C=C4)OCCC)OC)C#N)N)C(=O)OCC)OC

DOS

IR

Vibrations