Geometry & MOs

Info

ID:	343861
PubChem CID:	127267037
Reduced:	FO2N4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	331.128054
ΔH_f, kcal/mol:	-65.34
Dipole, Da:	0.99
IP(EA), eV:	-9.3(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[3-[(1-methylpyrazol-4-yl)methyl]azetidin-1-yl]-5-nitropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C)NCC2=CC(=NC=C2)C(=O)OC)F

DOS

IR

Vibrations