Geometry & MOs

Info

ID:	211448
PubChem CID:	80952322
Reduced:	N3C17H21 (1)
Stoich.:	A3B17C21 (1)
Weight, g/mol:	287.118925
ΔH_f, kcal/mol:	54.82
Dipole, Da:	3.62
IP(EA), eV:	-8.96(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-chlorophenyl)-2-cyclopropyl-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1)C2=CC=CC(=C2)C)C3CC3

DOS

IR

Vibrations