Geometry & MOs

Info

ID:	147003
PubChem CID:	53777009
Reduced:	ON2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	372.087685
ΔH_f, kcal/mol:	44.35
Dipole, Da:	7.69
IP(EA), eV:	-9.2(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazol-7-yloxy)-2-(4-chlorophenyl)acetate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=NC(=NO)C1=O)N(C)CC3=CC=CC=C3

DOS

IR

Vibrations