Geometry & MOs

Info

ID:	211454
PubChem CID:	80953097
Reduced:	ClN4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	283.14514
ΔH_f, kcal/mol:	55.42
Dipole, Da:	4.83
IP(EA), eV:	-9.28(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-chloro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)CN(CCC#N)C1=CC(=NC(=N1)C2CC2)Cl

DOS

IR

Vibrations