Geometry & MOs

Info

ID:	221266
PubChem CID:	85267002
Reduced:	O5C22H22 (1)
Stoich.:	A5B22C22 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-124.83
Dipole, Da:	2.76
IP(EA), eV:	-9.85(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[4-(2-methoxyphenyl)pyrazolidin-3-yl]amino]-2-(1-methylpyrazol-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C=CCOC(COC(=O)C1=CC=CC=C1)C(C=C)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations