Geometry & MOs

Info

ID:	289200
PubChem CID:	104339761
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	239.138225
ΔH_f, kcal/mol:	-43.05
Dipole, Da:	4.34
IP(EA), eV:	-8.61(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]butanamide

Drug info:

PubChemData

Smile

CCC1CCCN(C1)C2=NC(=NC(=C2)NCC)COCC

DOS

IR

Vibrations