Geometry & MOs

Info

ID:	416199
PubChem CID:	135089209
Reduced:	NO4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	350.210661
ΔH_f, kcal/mol:	-177.98
Dipole, Da:	5.35
IP(EA), eV:	-8.98(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)CC3=CC=CC=C3C(=O)O)O

DOS

IR

Vibrations