Geometry & MOs

Info

ID:	425900
PubChem CID:	135129600
Reduced:	O3N4C8H12 (1)
Stoich.:	A3B4C8D12 (1)
Weight, g/mol:	449.206304
ΔH_f, kcal/mol:	-65.18
Dipole, Da:	2.82
IP(EA), eV:	-9.9(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(2-methoxypyridin-4-yl)methyl]-3-oxo-1H-pyrazol-2-yl]-N-[1-(oxan-4-yl)cyclopropyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1N=[N+]=[N-])C(=O)CCC(=O)O

DOS

IR

Vibrations