Geometry & MOs

Info

ID:	290273
PubChem CID:	104426381
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	10.13
Dipole, Da:	6.17
IP(EA), eV:	-8.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-3-[(6-methylpyrimidin-4-yl)amino]propanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CCNC1=NC2=CC=NN2C=C1

DOS

IR

Vibrations