Geometry & MOs

Info

ID:	288027
PubChem CID:	104308658
Reduced:	ClON3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-13.76
Dipole, Da:	3.37
IP(EA), eV:	-10.01(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(aminomethyl)phenyl]-4-propan-2-yloxypyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=N1)C)CC(C#N)Cl

DOS

IR

Vibrations