Geometry & MOs

Info

ID:	211432
PubChem CID:	80949480
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	240.102941
ΔH_f, kcal/mol:	-4.17
Dipole, Da:	4.39
IP(EA), eV:	-8.69(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-chloro-6-(cyclopropylmethoxy)pyrimidine

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=C1)C2=C(C=C(C=C2)OC)OC)C3CC3

DOS

IR

Vibrations