Geometry & MOs

Info

ID:	260240
PubChem CID:	103186123
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-49.87
Dipole, Da:	4.18
IP(EA), eV:	-9.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethyl-4-nitropyridin-2-yl)-1-methoxy-N-propylbutan-2-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1[N+](=O)[O-])C)CC2CCCCCC2=O

DOS

IR

Vibrations