Geometry & MOs

Info

ID:	201571
PubChem CID:	79557570
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	227.118925
ΔH_f, kcal/mol:	-29.36
Dipole, Da:	5.53
IP(EA), eV:	-7.87(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=CC(=C(C=C1)N)OCC2=CC(=CC=C2)C(=O)N

DOS

IR

Vibrations