Geometry & MOs

Info

ID:	328555
PubChem CID:	126724519
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-65.03
Dipole, Da:	2.8
IP(EA), eV:	-8.36(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-N-[(3R)-oxolan-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)C=C(C=C2)OCCNCCO

DOS

IR

Vibrations