Geometry & MOs

Info

ID:	289217
PubChem CID:	104340820
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	266.210661
ΔH_f, kcal/mol:	-23.33
Dipole, Da:	3.77
IP(EA), eV:	-8.69(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-butan-2-yl-4-N-butyl-2-(methoxymethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COCC)N(CC2CC2)C(C)C

DOS

IR

Vibrations