Geometry & MOs

Info

ID:	213732
PubChem CID:	81064806
Reduced:	SN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	294.241962
ΔH_f, kcal/mol:	-48.57
Dipole, Da:	1.4
IP(EA), eV:	-8.54(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-N-(2-ethoxyethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C1=NC(=C(S1)CO)C2=CC=CC=C2

DOS

IR

Vibrations