Geometry & MOs

Info

ID:	283547
PubChem CID:	103987990
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	-77.89
Dipole, Da:	4.11
IP(EA), eV:	-9.4(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-ethylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(C)O)CC2CCOC2

DOS

IR

Vibrations