Geometry & MOs

Info

ID:	256543
PubChem CID:	103139820
Reduced:	NC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	259.170292
ΔH_f, kcal/mol:	97.13
Dipole, Da:	3.84
IP(EA), eV:	-9.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethyl)-4-methyl-N-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CC(C2=CC=CC3=C2C=NC=C3)NN

DOS

IR

Vibrations