Geometry & MOs

Info

ID:	209350
PubChem CID:	80657120
Reduced:	ClN4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	276.231397
ΔH_f, kcal/mol:	14.47
Dipole, Da:	2.76
IP(EA), eV:	-8.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[butyl(cyclopropyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CC2=NC(=CC(=N2)Cl)C)N

DOS

IR

Vibrations