Geometry & MOs

Info

ID:	382141
PubChem CID:	134973097
Reduced:	IPO6C21H28 (1)
Stoich.:	ABC6D21E28 (1)
Weight, g/mol:	134.096974
ΔH_f, kcal/mol:	-281.76
Dipole, Da:	3.45
IP(EA), eV:	-8.75(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-methyl-1-(4-methylcyclohexa-1,3,5-trien-1-yl)methanamine

Drug info:

PubChemData

Smile

CC(C)(OC1[C@H](O[C@H](C1O)O)CO)OP(C)(C2=CC=CC=C2)(C3=CC=CC=C3)I

DOS

IR

Vibrations