Geometry & MOs

Info

ID:	209521
PubChem CID:	80682681
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	239.134385
ΔH_f, kcal/mol:	-14.66
Dipole, Da:	9.55
IP(EA), eV:	-9.36(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(2-methyloxan-2-yl)-1-(5-methylthiophen-3-yl)methanamine

Drug info:

PubChemData

Smile

CN1C=NC(=N1)CCNCC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations