Geometry & MOs

Info

ID:	43637
PubChem CID:	10321577
Reduced:	O2N5H25C27 (1)
Stoich.:	A2B5C25D27 (1)
Weight, g/mol:	451.177707
ΔH_f, kcal/mol:	70.39
Dipole, Da:	3.69
IP(EA), eV:	-8.66(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenoxy)-4-nitrophenyl]methanesulfonamide;4-methylcyclohexan-1-amine

Drug info:

PubChemData

Smile

C1COCCN1CCOC2=CC3=NC=CC(=C3C=C2)C4=C5C=CC=CN5N=C4C6=CC=CC=N6

DOS

IR

Vibrations