Geometry & MOs

Info

ID:	272276
PubChem CID:	103737400
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	283.072369
ΔH_f, kcal/mol:	-36.71
Dipole, Da:	3.05
IP(EA), eV:	-9.49(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(1-methylcyclobutyl)methyl]-3-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC1)CNC(=O)C2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations