Geometry & MOs

Info

ID:	89999
PubChem CID:	49965775
Reduced:	N5O5C37H51 (1)
Stoich.:	A5B5C37D51 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-91.5
Dipole, Da:	6.06
IP(EA), eV:	-8.27(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=C(C=C(C=C1)/C=C/2\CN(CC3=C2OC(=C(C3C4=CC(=C(C=C4)OCCN(CC)CC)OC)C#N)N)C)OC

DOS

IR

Vibrations