Geometry & MOs

Info

ID:	420450
PubChem CID:	135113206
Reduced:	ClN4C14H23 (1)
Stoich.:	AB4C14D23 (1)
Weight, g/mol:	336.231397
ΔH_f, kcal/mol:	5.54
Dipole, Da:	3.41
IP(EA), eV:	-8.88(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yl-6-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)NCCCN(C)C2CCCC2)Cl

DOS

IR

Vibrations