Geometry & MOs

Info

ID:	290170
PubChem CID:	104417149
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	273.099252
ΔH_f, kcal/mol:	-38.47
Dipole, Da:	6.82
IP(EA), eV:	-8.15(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide

Drug info:

PubChemData

Smile

COCCNC(=O)CCNC1=CC(=C(C=C1)N)C#N

DOS

IR

Vibrations