Geometry & MOs

Info

ID:	296239
PubChem CID:	117562269
Reduced:	BrN3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	58.73
Dipole, Da:	3.26
IP(EA), eV:	-8.51(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-methoxyanilino)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)NCCC2=CNC3=CC=CC=C32)Br

DOS

IR

Vibrations