Geometry & MOs

Info

ID:	289186
PubChem CID:	104339024
Reduced:	O2N5C11H19 (1)
Stoich.:	A2B5C11D19 (1)
Weight, g/mol:	236.088495
ΔH_f, kcal/mol:	-66.91
Dipole, Da:	1.16
IP(EA), eV:	-8.97(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COCC)NCC(=O)N

DOS

IR

Vibrations