Geometry & MOs

Info

ID:	294092
PubChem CID:	117426991
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	80.46
Dipole, Da:	2.38
IP(EA), eV:	-8.32(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-(2-methylimidazol-1-yl)phenyl]cyclohexyl]methanamine

Drug info:

PubChemData

Smile

C1CN2CCC1C3=C2NC4=C3C=C(C=C4)CCCCN

DOS

IR

Vibrations