Geometry & MOs

Info

ID:	209185
PubChem CID:	80637080
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	291.176919
ΔH_f, kcal/mol:	-1.75
Dipole, Da:	7.67
IP(EA), eV:	-9.36(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine

Drug info:

PubChemData

Smile

CNC(=O)C1=NN(C=C1)C2=NC=C(C=C2)CNCCOC

DOS

IR

Vibrations