Geometry & MOs

Info

ID:	145887
PubChem CID:	53607563
Reduced:	NSO3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	293.164046
ΔH_f, kcal/mol:	-76.43
Dipole, Da:	1.57
IP(EA), eV:	-9.3(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[methyl-(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S1)C2=COC=C2)C

DOS

IR

Vibrations