Geometry & MOs

Info

ID:	280618
PubChem CID:	103850257
Reduced:	O2N5C12H19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-59.21
Dipole, Da:	4.47
IP(EA), eV:	-9.13(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=NN=C(C=C1)NC(C(C)C)C(=O)N

DOS

IR

Vibrations