Geometry & MOs

Info

ID:	291533
PubChem CID:	113384785
Reduced:	OSN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	245.098669
ΔH_f, kcal/mol:	-35.47
Dipole, Da:	5.46
IP(EA), eV:	-8.65(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[4-(pyrimidin-2-ylmethylsulfanyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CCNC(=O)CCSC1=CC=C(C=C1)CNC

DOS

IR

Vibrations