Geometry & MOs

Info

ID:	264517
PubChem CID:	103466475
Reduced:	NO2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	236.200097
ΔH_f, kcal/mol:	-95.03
Dipole, Da:	0.69
IP(EA), eV:	-9.22(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,2-dimethylbutyl)-2-ethyl-5-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1(CCC(CC1)(CN)C(COC)(C2=CC=CC=C2)O)C

DOS

IR

Vibrations