Geometry & MOs

Info

ID:	200568
PubChem CID:	79411410
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	221.189198
ΔH_f, kcal/mol:	-89.29
Dipole, Da:	3.04
IP(EA), eV:	-9.57(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-butylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3C[C@H]([C@H](C3)O)O

DOS

IR

Vibrations