Geometry & MOs

Info

ID:	209205
PubChem CID:	80638342
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	223.114319
ΔH_f, kcal/mol:	-54.87
Dipole, Da:	6.84
IP(EA), eV:	-8.64(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[2-(thian-2-yl)pyrimidin-4-yl]methanamine

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN(C)C1=NC=C(C=C1C)C=O

DOS

IR

Vibrations