Geometry & MOs

Info

ID:	157334
PubChem CID:	56422894
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	484.192212
ΔH_f, kcal/mol:	-67.8
Dipole, Da:	7.78
IP(EA), eV:	-8.64(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=NN=C(C=C2)N3CCCC3)C

DOS

IR

Vibrations